2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine

C17H21NO2 — CID 137354597

IUPAC2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
SMILESCOc1ccc(OC)c(-c2cc(C)ccc2CCN)c1
InChIInChI=1S/C17H21NO2/c1-12-4-5-13(8-9-18)15(10-12)16-11-14(19-2)6-7-17(16)20-3/h4-7,10-11H,8-9,18H2,1-3H3
InChIKeyBISSPAHKWZNCNZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine

2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine (PubChem CID 137354597) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
PubChem CID137354597
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
SMILESCOc1ccc(OC)c(-c2cc(C)ccc2CCN)c1
InChIInChI=1S/C17H21NO2/c1-12-4-5-13(8-9-18)15(10-12)16-11-14(19-2)6-7-17(16)20-3/h4-7,10-11H,8-9,18H2,1-3H3
InChIKeyBISSPAHKWZNCNZ-UHFFFAOYSA-N
XLogP3.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]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

2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
[2-(2,4-dimethylphenyl)-4-methoxyphenyl]methanamine
CID 141455779
2-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008127
2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine
CID 137354599
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 28709823
ethane;1-methoxy-2-(4-methyl-2-sulfanyloxyphenyl)-4-sulfanyloxybenzene
CID 144756523
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine (CID 137354597) is 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine is COc1ccc(OC)c(-c2cc(C)ccc2CCN)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine?
The InChIKey is BISSPAHKWZNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-5-13(8-9-18)15(10-12)16-11-14(19-2)6-7-17(16)20-3/h4-7,10-11H,8-9,18H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine?
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine is sourced from PubChem (CID 137354597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).