N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine

C14H18N2O3 — CID 79090223

IUPACN-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine
SMILESCOc1ccc(CNn2cccc2)c(OC)c1OC
InChIInChI=1S/C14H18N2O3/c1-17-12-7-6-11(13(18-2)14(12)19-3)10-15-16-8-4-5-9-16/h4-9,15H,10H2,1-3H3
InChIKeyJDBPXLUCYRDQMT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.26
Rot. Bonds6

About N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine

N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine (PubChem CID 79090223) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine
PubChem CID79090223
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine
SMILESCOc1ccc(CNn2cccc2)c(OC)c1OC
InChIInChI=1S/C14H18N2O3/c1-17-12-7-6-11(13(18-2)14(12)19-3)10-15-16-8-4-5-9-16/h4-9,15H,10H2,1-3H3
InChIKeyJDBPXLUCYRDQMT-UHFFFAOYSA-N
XLogP2.26
TPSA44.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
4-[(2,3,4-trimethoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione
CID 4725503
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
1-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
CID 60809473
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836
N-[(2,3,4-trimethoxyphenyl)methyl]but-2-yn-1-amine
CID 115866344
(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 1368185
3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775203

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine (CID 79090223) is N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine is COc1ccc(CNn2cccc2)c(OC)c1OC.
What is the InChIKey of N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine?
The InChIKey is JDBPXLUCYRDQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-17-12-7-6-11(13(18-2)14(12)19-3)10-15-16-8-4-5-9-16/h4-9,15H,10H2,1-3H3.
What are the key properties of N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine?
N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine has a molecular weight of 262.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79090223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).