2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine

C18H24N2 — CID 67247581

IUPAC2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine
SMILESCCCC(C)(C)c1cc(Nc2ccccc2)ccc1N
InChIInChI=1S/C18H24N2/c1-4-12-18(2,3)16-13-15(10-11-17(16)19)20-14-8-6-5-7-9-14/h5-11,13,20H,4,12,19H2,1-3H3
InChIKeyJOXQUHMJFUINQP-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.09
Rot. Bonds5

About 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine

2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine (PubChem CID 67247581) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine
PubChem CID67247581
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine
SMILESCCCC(C)(C)c1cc(Nc2ccccc2)ccc1N
InChIInChI=1S/C18H24N2/c1-4-12-18(2,3)16-13-15(10-11-17(16)19)20-14-8-6-5-7-9-14/h5-11,13,20H,4,12,19H2,1-3H3
InChIKeyJOXQUHMJFUINQP-UHFFFAOYSA-N
XLogP5.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.09
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

Desipramine
CID 2995
Dibenz(b,f)azepine
CID 9212
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
Iminodibenyl
CID 10308
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
2-Amino-5-(diethylamino)toluene
CID 67364
4,4'-Dioctyldiphenylamine
CID 7569
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N-(3-Methylphenyl)aniline
CID 14569
N,N'-Di-o-tolylethylenediamine
CID 66759
9,9-Dimethyl-9,10-dihydroacridine
CID 22647
1-Naphthalenamine, N-(dodecylphenyl)-
CID 116650

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine (CID 67247581) is 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine is CCCC(C)(C)c1cc(Nc2ccccc2)ccc1N.
What is the InChIKey of 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine?
The InChIKey is JOXQUHMJFUINQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-12-18(2,3)16-13-15(10-11-17(16)19)20-14-8-6-5-7-9-14/h5-11,13,20H,4,12,19H2,1-3H3.
What are the key properties of 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine?
2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 67247581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).