N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine

C25H30N2O — CID 118346858

IUPACN-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine
SMILESCCCCCCOc1ccc(N(c2ccc(C)cc2)c2ccnc(C)c2)cc1
InChIInChI=1S/C25H30N2O/c1-4-5-6-7-18-28-25-14-12-23(13-15-25)27(22-10-8-20(2)9-11-22)24-16-17-26-21(3)19-24/h8-17,19H,4-7,18H2,1-3H3
InChIKeyLRYKILMDABUSTF-UHFFFAOYSA-N
MW374.53 g/mol
LogP7.13
Rot. Bonds9

About N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine

N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine (PubChem CID 118346858) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine
PubChem CID118346858
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine
SMILESCCCCCCOc1ccc(N(c2ccc(C)cc2)c2ccnc(C)c2)cc1
InChIInChI=1S/C25H30N2O/c1-4-5-6-7-18-28-25-14-12-23(13-15-25)27(22-10-8-20(2)9-11-22)24-16-17-26-21(3)19-24/h8-17,19H,4-7,18H2,1-3H3
InChIKeyLRYKILMDABUSTF-UHFFFAOYSA-N
XLogP7.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
4-hexoxy-N-(4-hexoxyphenyl)-N-phenylaniline;yttrium
CID 140583361
N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 71261026
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-octoxyphenyl)anthracene-9,10-diamine
CID 59372339
4-hexoxy-N,N-dimethylaniline
CID 19782341
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine?
The IUPAC name of N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine (CID 118346858) is N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine.
What is the SMILES notation for N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine?
The canonical SMILES for N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine is CCCCCCOc1ccc(N(c2ccc(C)cc2)c2ccnc(C)c2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine?
The InChIKey is LRYKILMDABUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-5-6-7-18-28-25-14-12-23(13-15-25)27(22-10-8-20(2)9-11-22)24-16-17-26-21(3)19-24/h8-17,19H,4-7,18H2,1-3H3.
What are the key properties of N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine?
N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine has a molecular weight of 374.53 g/mol, XLogP of 7.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-2-methyl-N-(4-methylphenyl)pyridin-4-amine is sourced from PubChem (CID 118346858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).