4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine

C16H20N2 — CID 82292814

IUPAC4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCc1cccc(C(C)C)c1Nc1ccc(N)cc1
InChIInChI=1S/C16H20N2/c1-11(2)15-6-4-5-12(3)16(15)18-14-9-7-13(17)8-10-14/h4-11,18H,17H2,1-3H3
InChIKeyFAIOSIMUGBSARC-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.44
Rot. Bonds3

About 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine

4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine (PubChem CID 82292814) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine
PubChem CID82292814
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCc1cccc(C(C)C)c1Nc1ccc(N)cc1
InChIInChI=1S/C16H20N2/c1-11(2)15-6-4-5-12(3)16(15)18-14-9-7-13(17)8-10-14/h4-11,18H,17H2,1-3H3
InChIKeyFAIOSIMUGBSARC-UHFFFAOYSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(2-methyl-6-propan-2-ylanilino)benzenecarbothioamide
CID 107277229
1-(3-aminophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 28549722
4-N-[4-(dimethylamino)phenyl]-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903306
2-methyl-6-propan-2-ylaniline
CID 162117439
2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903272
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109195082
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
5-N-(4-methoxyphenyl)-3-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965132
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
N-(2-methyl-6-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 24804885

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine (CID 82292814) is 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine is Cc1cccc(C(C)C)c1Nc1ccc(N)cc1.
What is the InChIKey of 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine?
The InChIKey is FAIOSIMUGBSARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11(2)15-6-4-5-12(3)16(15)18-14-9-7-13(17)8-10-14/h4-11,18H,17H2,1-3H3.
What are the key properties of 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine?
4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 82292814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).