2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine

C18H23N — CID 144851881

IUPAC2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H23N/c1-14-4-7-18(8-5-14)13-19-11-10-17-9-6-15(2)16(3)12-17/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyQGNSAOQEWWMWGW-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.94
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine

2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 144851881) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID144851881
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNCCc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H23N/c1-14-4-7-18(8-5-14)13-19-11-10-17-9-6-15(2)16(3)12-17/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyQGNSAOQEWWMWGW-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
CID 145215034
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82336988
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
CID 67679767
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine (CID 144851881) is 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CNCCc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is QGNSAOQEWWMWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-4-7-18(8-5-14)13-19-11-10-17-9-6-15(2)16(3)12-17/h4-9,12,19H,10-11,13H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine?
2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 144851881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).