4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine

C19H25NO3 — CID 110447690

IUPAC4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine
SMILESCOc1ccc(-c2cccc(CCC(C)N)c2)c(OC)c1OC
InChIInChI=1S/C19H25NO3/c1-13(20)8-9-14-6-5-7-15(12-14)16-10-11-17(21-2)19(23-4)18(16)22-3/h5-7,10-13H,8-9,20H2,1-4H3
InChIKeyPHHDKYHQUWDZNY-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.66
Rot. Bonds7

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

4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine (PubChem CID 110447690) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine
PubChem CID110447690
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine
SMILESCOc1ccc(-c2cccc(CCC(C)N)c2)c(OC)c1OC
InChIInChI=1S/C19H25NO3/c1-13(20)8-9-14-6-5-7-15(12-14)16-10-11-17(21-2)19(23-4)18(16)22-3/h5-7,10-13H,8-9,20H2,1-4H3
InChIKeyPHHDKYHQUWDZNY-UHFFFAOYSA-N
XLogP3.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[3-(3-aminobutyl)phenyl]-N,N-dimethylaniline
CID 82541905
3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
CID 175266062
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
O-[2-(4-methoxy-3-phenylphenyl)ethyl]hydroxylamine
CID 117360142
4-(3-quinolin-6-ylphenyl)butan-2-amine
CID 82541692

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine?
The IUPAC name of 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine (CID 110447690) is 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine?
The canonical SMILES for 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine is COc1ccc(-c2cccc(CCC(C)N)c2)c(OC)c1OC.
What is the InChIKey of 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine?
The InChIKey is PHHDKYHQUWDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13(20)8-9-14-6-5-7-15(12-14)16-10-11-17(21-2)19(23-4)18(16)22-3/h5-7,10-13H,8-9,20H2,1-4H3.
What are the key properties of 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine?
4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine has a molecular weight of 315.41 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3,4-trimethoxyphenyl)phenyl]butan-2-amine is sourced from PubChem (CID 110447690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).