4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine

C16H20N2 — CID 114264058

IUPAC4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine
SMILESCc1ccc(NC(C)(C)c2ccccc2)c(N)c1
InChIInChI=1S/C16H20N2/c1-12-9-10-15(14(17)11-12)18-16(2,3)13-7-5-4-6-8-13/h4-11,18H,17H2,1-3H3
InChIKeyZWEVNSZDNQNZJE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.92
Rot. Bonds3

About 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine

4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine (PubChem CID 114264058) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine
PubChem CID114264058
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine
SMILESCc1ccc(NC(C)(C)c2ccccc2)c(N)c1
InChIInChI=1S/C16H20N2/c1-12-9-10-15(14(17)11-12)18-16(2,3)13-7-5-4-6-8-13/h4-11,18H,17H2,1-3H3
InChIKeyZWEVNSZDNQNZJE-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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

1-N-(2-bromophenyl)-4-methylbenzene-1,2-diamine
CID 43349512
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181
4-methyl-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 62988549
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
2-hydrazinyl-5-methylaniline
CID 89276855
4-methyl-1-N-(4-methylquinolin-2-yl)benzene-1,2-diamine
CID 10378080
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
CID 43370979
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
4-methyl-1-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115125054
N-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]acetamide
CID 14711638
1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen
CID 144996884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine (CID 114264058) is 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine is Cc1ccc(NC(C)(C)c2ccccc2)c(N)c1.
What is the InChIKey of 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is ZWEVNSZDNQNZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-9-10-15(14(17)11-12)18-16(2,3)13-7-5-4-6-8-13/h4-11,18H,17H2,1-3H3.
What are the key properties of 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine?
4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 114264058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).