4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine

C13H19BrN2 — CID 43317802

IUPAC4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCCC(Nc2ccc(Br)cc2N)C1
InChIInChI=1S/C13H19BrN2/c1-9-3-2-4-11(7-9)16-13-6-5-10(14)8-12(13)15/h5-6,8-9,11,16H,2-4,7,15H2,1H3
InChIKeyKBHPBTMTXGAGFE-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.02
Rot. Bonds2

About 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine

4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine (PubChem CID 43317802) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
PubChem CID43317802
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCCC(Nc2ccc(Br)cc2N)C1
InChIInChI=1S/C13H19BrN2/c1-9-3-2-4-11(7-9)16-13-6-5-10(14)8-12(13)15/h5-6,8-9,11,16H,2-4,7,15H2,1H3
InChIKeyKBHPBTMTXGAGFE-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.02
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-1-N-(3,5-dimethylcyclohexyl)benzene-1,2-diamine
CID 64732067
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
CID 65080810
4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
2,4-difluoro-N-(3-methylcyclohexyl)aniline
CID 43104581
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
2-bromo-N-(3-methylcyclohexyl)-4-nitroaniline
CID 43742254
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
2,3,4-trifluoro-N-(3-methylcyclohexyl)aniline
CID 43107214
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
methyl 4-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 82785054
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine (CID 43317802) is 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine is CC1CCCC(Nc2ccc(Br)cc2N)C1.
What is the InChIKey of 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The InChIKey is KBHPBTMTXGAGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-3-2-4-11(7-9)16-13-6-5-10(14)8-12(13)15/h5-6,8-9,11,16H,2-4,7,15H2,1H3.
What are the key properties of 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine?
4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine has a molecular weight of 283.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 43317802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).