2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine

C17H21NO3 — CID 82039666

IUPAC2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
SMILESCOc1ccc(-c2ccc(CCN)cc2)c(OC)c1OC
InChIInChI=1S/C17H21NO3/c1-19-15-9-8-14(16(20-2)17(15)21-3)13-6-4-12(5-7-13)10-11-18/h4-9H,10-11,18H2,1-3H3
InChIKeyAJMGCVNNSKMFBX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.88
Rot. Bonds6

About 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine

2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine (PubChem CID 82039666) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
PubChem CID82039666
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
SMILESCOc1ccc(-c2ccc(CCN)cc2)c(OC)c1OC
InChIInChI=1S/C17H21NO3/c1-19-15-9-8-14(16(20-2)17(15)21-3)13-6-4-12(5-7-13)10-11-18/h4-9H,10-11,18H2,1-3H3
InChIKeyAJMGCVNNSKMFBX-UHFFFAOYSA-N
XLogP2.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine 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

1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride
CID 163340695
2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine
CID 141163384
2-[3-(3,4-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82107025
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82120363
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815247
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
1,2-dimethoxy-3-(4-pentylphenyl)benzene
CID 175313159

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine (CID 82039666) is 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine is COc1ccc(-c2ccc(CCN)cc2)c(OC)c1OC.
What is the InChIKey of 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine?
The InChIKey is AJMGCVNNSKMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-15-9-8-14(16(20-2)17(15)21-3)13-6-4-12(5-7-13)10-11-18/h4-9H,10-11,18H2,1-3H3.
What are the key properties of 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine?
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 82039666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).