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

C18H23N — CID 105408635

IUPACN-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cccc(C)c2C)c1
InChIInChI=1S/C18H23N/c1-5-19-12-16-10-9-14(3)18(11-16)17-8-6-7-13(2)15(17)4/h6-11,19H,5,12H2,1-4H3
InChIKeyPPYYIGRACYYLNQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.39
Rot. Bonds4

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

N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine (PubChem CID 105408635) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
PubChem CID105408635
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cccc(C)c2C)c1
InChIInChI=1S/C18H23N/c1-5-19-12-16-10-9-14(3)18(11-16)17-8-6-7-13(2)15(17)4/h6-11,19H,5,12H2,1-4H3
InChIKeyPPYYIGRACYYLNQ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine (CID 105408635) is N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2cccc(C)c2C)c1.
What is the InChIKey of N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine?
The InChIKey is PPYYIGRACYYLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-19-12-16-10-9-14(3)18(11-16)17-8-6-7-13(2)15(17)4/h6-11,19H,5,12H2,1-4H3.
What are the key properties of N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine?
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105408635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).