4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine

C16H19ClN2 — CID 11254350

IUPAC4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
SMILESCC(C)c1ccc(CNc2cc(Cl)ccc2N)cc1
InChIInChI=1S/C16H19ClN2/c1-11(2)13-5-3-12(4-6-13)10-19-16-9-14(17)7-8-15(16)18/h3-9,11,19H,10,18H2,1-2H3
InChIKeyRPHNDRUSVHAHEY-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.66
Rot. Bonds4

About 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine

4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine (PubChem CID 11254350) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
PubChem CID11254350
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
SMILESCC(C)c1ccc(CNc2cc(Cl)ccc2N)cc1
InChIInChI=1S/C16H19ClN2/c1-11(2)13-5-3-12(4-6-13)10-19-16-9-14(17)7-8-15(16)18/h3-9,11,19H,10,18H2,1-2H3
InChIKeyRPHNDRUSVHAHEY-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.66
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

4-bromo-2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 65343289
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
3-chloro-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 104834390
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-[(2,5-dichlorophenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 65316287
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 15680100
2-N-[(4-chlorophenyl)methyl]-4,5-dimethoxybenzene-1,2-diamine
CID 83001192
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115469180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine (CID 11254350) is 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine is CC(C)c1ccc(CNc2cc(Cl)ccc2N)cc1.
What is the InChIKey of 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is RPHNDRUSVHAHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11(2)13-5-3-12(4-6-13)10-19-16-9-14(17)7-8-15(16)18/h3-9,11,19H,10,18H2,1-2H3.
What are the key properties of 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine?
4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 11254350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).