2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine

C19H25NO4 — CID 83972538

IUPAC2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H25NO4/c1-21-16-7-5-13(6-8-16)15(12-20)9-14-10-18(23-3)19(24-4)11-17(14)22-2/h5-8,10-11,15H,9,12,20H2,1-4H3
InChIKeyPDZGMXWOPPROIT-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.01
Rot. Bonds8

About 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine

2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine (PubChem CID 83972538) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
PubChem CID83972538
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H25NO4/c1-21-16-7-5-13(6-8-16)15(12-20)9-14-10-18(23-3)19(24-4)11-17(14)22-2/h5-8,10-11,15H,9,12,20H2,1-4H3
InChIKeyPDZGMXWOPPROIT-UHFFFAOYSA-N
XLogP3.01
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-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

2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977036
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79437673
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 82160331
3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
CID 79441367
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine (CID 83972538) is 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine is COc1ccc(C(CN)Cc2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine?
The InChIKey is PDZGMXWOPPROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-21-16-7-5-13(6-8-16)15(12-20)9-14-10-18(23-3)19(24-4)11-17(14)22-2/h5-8,10-11,15H,9,12,20H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine?
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine has a molecular weight of 331.41 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).