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

C19H26N2 — CID 20976948

IUPAC2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2NC(C)CC(C)C)cc1
InChIInChI=1S/C19H26N2/c1-14(2)13-16(4)20-18-7-5-6-8-19(18)21-17-11-9-15(3)10-12-17/h5-12,14,16,20-21H,13H2,1-4H3
InChIKeyCBYHPJXURBUEDB-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.59
Rot. Bonds6

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

2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine (PubChem CID 20976948) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
PubChem CID20976948
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccccc2NC(C)CC(C)C)cc1
InChIInChI=1S/C19H26N2/c1-14(2)13-16(4)20-18-7-5-6-8-19(18)21-17-11-9-15(3)10-12-17/h5-12,14,16,20-21H,13H2,1-4H3
InChIKeyCBYHPJXURBUEDB-UHFFFAOYSA-N
XLogP5.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine (CID 20976948) is 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine is Cc1ccc(Nc2ccccc2NC(C)CC(C)C)cc1.
What is the InChIKey of 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine?
The InChIKey is CBYHPJXURBUEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(2)13-16(4)20-18-7-5-6-8-19(18)21-17-11-9-15(3)10-12-17/h5-12,14,16,20-21H,13H2,1-4H3.
What are the key properties of 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine?
2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 20976948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).