4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine

C19H26N2 — CID 174953219

IUPAC4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(-c2cc(NC(C)CC(C)C)ccc2N)cc1
InChIInChI=1S/C19H26N2/c1-13(2)11-15(4)21-17-9-10-19(20)18(12-17)16-7-5-14(3)6-8-16/h5-10,12-13,15,21H,11,20H2,1-4H3
InChIKeyKDEFYQVMJSPTSU-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.09
Rot. Bonds5

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

4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine (PubChem CID 174953219) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine
PubChem CID174953219
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(-c2cc(NC(C)CC(C)C)ccc2N)cc1
InChIInChI=1S/C19H26N2/c1-13(2)11-15(4)21-17-9-10-19(20)18(12-17)16-7-5-14(3)6-8-16/h5-10,12-13,15,21H,11,20H2,1-4H3
InChIKeyKDEFYQVMJSPTSU-UHFFFAOYSA-N
XLogP5.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
4-N-heptan-2-yl-2-phenylbenzene-1,4-diamine
CID 70145263
1-N-(4-methylpentan-2-yl)-4-N-[4-(4-methylpentan-2-ylamino)phenyl]-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 178132403
2-amino-4-(4-methylpentan-2-ylamino)benzoic acid
CID 104500250
3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
CID 43098407
4-N-(5-methylhexan-2-yl)benzene-1,2,4-triamine
CID 106750847
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
4-[(E)-but-1-enyl]-1-N-(4-methylpentan-2-yl)benzene-1,3-diamine
CID 68638074
2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43203342
2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 20976948
2-(3-amino-4-methylanilino)-4-methylpentan-1-ol
CID 62911636
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine (CID 174953219) is 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine is Cc1ccc(-c2cc(NC(C)CC(C)C)ccc2N)cc1.
What is the InChIKey of 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is KDEFYQVMJSPTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13(2)11-15(4)21-17-9-10-19(20)18(12-17)16-7-5-14(3)6-8-16/h5-10,12-13,15,21H,11,20H2,1-4H3.
What are the key properties of 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine?
4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 282.43 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 4-N-(4-methylpentan-2-yl)-2-(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 174953219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).