3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine

C15H18N2 — CID 43132792

IUPAC3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
SMILESCC(C)c1ccccc1Nc1cccc(N)c1
InChIInChI=1S/C15H18N2/c1-11(2)14-8-3-4-9-15(14)17-13-7-5-6-12(16)10-13/h3-11,17H,16H2,1-2H3
InChIKeyVVFWWFGUKZBICC-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.14
Rot. Bonds3

About 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine

3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine (PubChem CID 43132792) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
PubChem CID43132792
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
SMILESCC(C)c1ccccc1Nc1cccc(N)c1
InChIInChI=1S/C15H18N2/c1-11(2)14-8-3-4-9-15(14)17-13-7-5-6-12(16)10-13/h3-11,17H,16H2,1-2H3
InChIKeyVVFWWFGUKZBICC-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.14
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-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027093
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671289
2-methyl-4-(2-propan-2-ylanilino)benzenecarbothioamide
CID 81279604
6-methyl-4-N-(3-methylphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112927170
1-(3-aminophenyl)-2-(2-propan-2-ylanilino)ethanone
CID 96667328
2-bromo-4-(2-propan-2-ylanilino)benzenecarbothioamide
CID 107277202
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 54360216
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine (CID 43132792) is 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine is CC(C)c1ccccc1Nc1cccc(N)c1.
What is the InChIKey of 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine?
The InChIKey is VVFWWFGUKZBICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(2)14-8-3-4-9-15(14)17-13-7-5-6-12(16)10-13/h3-11,17H,16H2,1-2H3.
What are the key properties of 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine?
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 43132792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).