1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine

C16H20N2 — CID 64682149

IUPAC1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
SMILESCCc1ccccc1CNc1ccc(C)cc1N
InChIInChI=1S/C16H20N2/c1-3-13-6-4-5-7-14(13)11-18-16-9-8-12(2)10-15(16)17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyPQTDNBKCGLUHIK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.75
Rot. Bonds4

About 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine

1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine (PubChem CID 64682149) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
PubChem CID64682149
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
SMILESCCc1ccccc1CNc1ccc(C)cc1N
InChIInChI=1S/C16H20N2/c1-3-13-6-4-5-7-14(13)11-18-16-9-8-12(2)10-15(16)17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyPQTDNBKCGLUHIK-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
1-N-[(2,5-diaminophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 23440273
1-N-(1-benzothiophen-3-ylmethyl)-4-methylbenzene-1,2-diamine
CID 115125075
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
4-methyl-1-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115125054
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
2-N-[(2,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115124442
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine (CID 64682149) is 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine is CCc1ccccc1CNc1ccc(C)cc1N.
What is the InChIKey of 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine?
The InChIKey is PQTDNBKCGLUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-13-6-4-5-7-14(13)11-18-16-9-8-12(2)10-15(16)17/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine?
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 64682149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).