N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine

C17H24N2O — CID 79104817

IUPACN-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2ccc(OC)cc2)c1
InChIInChI=1S/C17H24N2O/c1-4-17(18-5-2)15-10-11-19(13-15)12-14-6-8-16(20-3)9-7-14/h6-11,13,17-18H,4-5,12H2,1-3H3
InChIKeyQXTGFDSOQRWCEX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.61
Rot. Bonds7

About N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine

N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79104817) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79104817
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2ccc(OC)cc2)c1
InChIInChI=1S/C17H24N2O/c1-4-17(18-5-2)15-10-11-19(13-15)12-14-6-8-16(20-3)9-7-14/h6-11,13,17-18H,4-5,12H2,1-3H3
InChIKeyQXTGFDSOQRWCEX-UHFFFAOYSA-N
XLogP3.61
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109629
1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097108
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105497
N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79105246
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 106865936
N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105159
N-ethyl-1-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 107045562
N-ethyl-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79109628
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 104801330
N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105165

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine (CID 79104817) is N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine is CCNC(CC)c1ccn(Cc2ccc(OC)cc2)c1.
What is the InChIKey of N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is QXTGFDSOQRWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-17(18-5-2)15-10-11-19(13-15)12-14-6-8-16(20-3)9-7-14/h6-11,13,17-18H,4-5,12H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine?
N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).