[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine

C16H19NO2 — CID 66479632

IUPAC[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
SMILESCOc1ccc(-c2ccc(CN)cc2C)c(OC)c1
InChIInChI=1S/C16H19NO2/c1-11-8-12(10-17)4-6-14(11)15-7-5-13(18-2)9-16(15)19-3/h4-9H,10,17H2,1-3H3
InChIKeyZGIHEQIUBKMBSW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.14
Rot. Bonds4

About [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine

[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine (PubChem CID 66479632) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
PubChem CID66479632
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
SMILESCOc1ccc(-c2ccc(CN)cc2C)c(OC)c1
InChIInChI=1S/C16H19NO2/c1-11-8-12(10-17)4-6-14(11)15-7-5-13(18-2)9-16(15)19-3/h4-9H,10,17H2,1-3H3
InChIKeyZGIHEQIUBKMBSW-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-4-(2-methylphenyl)phenyl]methanamine
CID 154814905
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
[2-(2,4-dimethylphenyl)-4-methoxyphenyl]methanamine
CID 141455779
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420
[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
CID 61032743

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine (CID 66479632) is [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine is COc1ccc(-c2ccc(CN)cc2C)c(OC)c1.
What is the InChIKey of [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine?
The InChIKey is ZGIHEQIUBKMBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-8-12(10-17)4-6-14(11)15-7-5-13(18-2)9-16(15)19-3/h4-9H,10,17H2,1-3H3.
What are the key properties of [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine?
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine is sourced from PubChem (CID 66479632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).