4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine

C116H135N11O6S — CID 158116354

IUPAC4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCCCCc1ccc(OCCN(c2ccc(N(C)C)cc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2cccc(OC)n2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C25H31N3O.C24H28N2O2.2C23H26N2O.C21H24N2OS/c1-4-5-8-21-10-16-24(17-11-21)29-20-19-28(25-9-6-7-18-26-25)23-14-12-22(13-15-23)27(2)3;1-3-4-9-20-14-16-22(17-15-20)28-19-18-26(21-10-6-5-7-11-21)23-12-8-13-24(25-23)27-2;1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23;1-2-3-8-20-12-14-23(15-13-20)26-18-17-25(21-9-5-4-6-10-21)22-11-7-16-24-19-22;1-2-3-7-18-10-12-20(13-11-18)24-16-15-23(21-22-14-17-25-21)19-8-5-4-6-9-19/h6-7,9-18H,4-5,8,19-20H2,1-3H3;5-8,10-17H,3-4,9,18-19H2,1-2H3;4-8,10-17H,2-3,9,18-19H2,1H3;4-7,9-16,19H,2-3,8,17-18H2,1H3;4-6,8-14,17H,2-3,7,15-16H2,1H3
InChIKeyFRBAEXAKOBHCML-UHFFFAOYSA-N
MW1811.49 g/mol
LogP28.34
Rot. Bonds47

About 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine

4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 158116354) has the molecular formula C116H135N11O6S and a molecular weight of 1811.49 g/mol. Its IUPAC name is 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID158116354
Molecular FormulaC116H135N11O6S
Molecular Weight1811.49 g/mol
Exact Mass1810.03
IUPAC Name4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCCCCc1ccc(OCCN(c2ccc(N(C)C)cc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2cccc(OC)n2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C25H31N3O.C24H28N2O2.2C23H26N2O.C21H24N2OS/c1-4-5-8-21-10-16-24(17-11-21)29-20-19-28(25-9-6-7-18-26-25)23-14-12-22(13-15-23)27(2)3;1-3-4-9-20-14-16-22(17-15-20)28-19-18-26(21-10-6-5-7-11-21)23-12-8-13-24(25-23)27-2;1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23;1-2-3-8-20-12-14-23(15-13-20)26-18-17-25(21-9-5-4-6-10-21)22-11-7-16-24-19-22;1-2-3-7-18-10-12-20(13-11-18)24-16-15-23(21-22-14-17-25-21)19-8-5-4-6-9-19/h6-7,9-18H,4-5,8,19-20H2,1-3H3;5-8,10-17H,3-4,9,18-19H2,1-2H3;4-8,10-17H,2-3,9,18-19H2,1H3;4-7,9-16,19H,2-3,8,17-18H2,1H3;4-6,8-14,17H,2-3,7,15-16H2,1H3
InChIKeyFRBAEXAKOBHCML-UHFFFAOYSA-N
XLogP28.34
TPSA139.27 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds47
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001811.49
LogP ≤ 528.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(4-Methoxyphenyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole;4-phenyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole
CID 68879455
N'-hydroxy-4-[5-[4-[2-[methyl-(2-methyl-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide
CID 91377643
4-[(2S,5R)-5-ethyl-2-methyl-4-[1-[4-(1,3-thiazol-2-ylmethoxy)phenyl]propyl]piperazin-1-yl]-6-isocyano-1-methylpyrido[3,2-d]pyrimidin-2-one
CID 156627924
4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-[pyridin-2-yl(pyridin-3-yl)amino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyrimidin-2-ylanilino)ethoxy]phenyl]butanoic acid;4-[4-[2-[N-(1,3-thiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid
CID 157054044
N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine
CID 157074013
N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline
CID 157082555
N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;4-[4-[2-[N-(1,3-thiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid
CID 157229734
4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-6-methyl-N-phenylpyridin-2-amine;4-[4-[2-[N-(1,3-thiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid
CID 158126262
4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid;4-[4-[2-[N-(1,3-thiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid
CID 158392724
N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine;4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid
CID 158667309
4-[4-[2-[[6-(dimethylamino)-3-pyridinyl]-pyridin-2-ylamino]ethoxy]phenyl]butanoic acid;4-[4-[2-[pyridin-2-yl(pyridin-3-yl)amino]ethoxy]phenyl]butanoic acid;4-[4-[2-[N-(1,3-thiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid
CID 158765391
4-[4-[2-[4-(dimethylamino)-N-pyridin-2-ylanilino]ethoxy]phenyl]butanoic acid;4-[4-[2-[pyridin-2-yl(pyridin-3-yl)amino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyrimidin-2-ylanilino)ethoxy]phenyl]butanoic acid;4-[4-[2-[N-(1,3-thiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid
CID 158773118

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine (CID 158116354) is 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine is CCCCc1ccc(OCCN(c2ccc(N(C)C)cc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2cccc(OC)n2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2ccccn2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.CCCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1.
What is the InChIKey of 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is FRBAEXAKOBHCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O.C24H28N2O2.2C23H26N2O.C21H24N2OS/c1-4-5-8-21-10-16-24(17-11-21)29-20-19-28(25-9-6-7-18-26-25)23-14-12-22(13-15-23)27(2)3;1-3-4-9-20-14-16-22(17-15-20)28-19-18-26(21-10-6-5-7-11-21)23-12-8-13-24(25-23)27-2;1-2-3-9-20-13-15-22(16-14-20)26-19-18-25(21-10-5-4-6-11-21)23-12-7-8-17-24-23;1-2-3-8-20-12-14-23(15-13-20)26-18-17-25(21-9-5-4-6-10-21)22-11-7-16-24-19-22;1-2-3-7-18-10-12-20(13-11-18)24-16-15-23(21-22-14-17-25-21)19-8-5-4-6-9-19/h6-7,9-18H,4-5,8,19-20H2,1-3H3;5-8,10-17H,3-4,9,18-19H2,1-2H3;4-8,10-17H,2-3,9,18-19H2,1H3;4-7,9-16,19H,2-3,8,17-18H2,1H3;4-6,8-14,17H,2-3,7,15-16H2,1H3.
What are the key properties of 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine?
4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 1811.49 g/mol, XLogP of 28.34, 47 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenylpyridin-3-amine;N-[2-(4-butylphenoxy)ethyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 158116354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).