1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine

C17H22N2 — CID 55130362

IUPAC1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
SMILESCCc1ccc(CN(C)c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H22N2/c1-4-14-6-8-15(9-7-14)12-19(3)16-10-5-13(2)17(18)11-16/h5-11H,4,12,18H2,1-3H3
InChIKeyLIAQYVSMLBQJRT-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.78
Rot. Bonds4

About 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine

1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine (PubChem CID 55130362) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
PubChem CID55130362
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
SMILESCCc1ccc(CN(C)c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H22N2/c1-4-14-6-8-15(9-7-14)12-19(3)16-10-5-13(2)17(18)11-16/h5-11H,4,12,18H2,1-3H3
InChIKeyLIAQYVSMLBQJRT-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine (CID 55130362) is 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine is CCc1ccc(CN(C)c2ccc(C)c(N)c2)cc1.
What is the InChIKey of 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine?
The InChIKey is LIAQYVSMLBQJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-14-6-8-15(9-7-14)12-19(3)16-10-5-13(2)17(18)11-16/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine?
1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 55130362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).