1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine

C20H27NO3 — CID 17156114

IUPAC1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
SMILESCCCC(NCc1cc(OC)c(OC)cc1OC)c1ccccc1
InChIInChI=1S/C20H27NO3/c1-5-9-17(15-10-7-6-8-11-15)21-14-16-12-19(23-3)20(24-4)13-18(16)22-2/h6-8,10-13,17,21H,5,9,14H2,1-4H3
InChIKeyQGDYZHDBWKWUCP-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.34
Rot. Bonds9

About 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine

1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine (PubChem CID 17156114) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
PubChem CID17156114
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
SMILESCCCC(NCc1cc(OC)c(OC)cc1OC)c1ccccc1
InChIInChI=1S/C20H27NO3/c1-5-9-17(15-10-7-6-8-11-15)21-14-16-12-19(23-3)20(24-4)13-18(16)22-2/h6-8,10-13,17,21H,5,9,14H2,1-4H3
InChIKeyQGDYZHDBWKWUCP-UHFFFAOYSA-N
XLogP4.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-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-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17293395
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156741
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17155730
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine (CID 17156114) is 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine is CCCC(NCc1cc(OC)c(OC)cc1OC)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine?
The InChIKey is QGDYZHDBWKWUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-5-9-17(15-10-7-6-8-11-15)21-14-16-12-19(23-3)20(24-4)13-18(16)22-2/h6-8,10-13,17,21H,5,9,14H2,1-4H3.
What are the key properties of 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine?
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 17156114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).