4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine

C14H21BrN2 — CID 65342799

IUPAC4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine
SMILESCC1(C)CCC(Nc2cc(Br)ccc2N)CC1
InChIInChI=1S/C14H21BrN2/c1-14(2)7-5-11(6-8-14)17-13-9-10(15)3-4-12(13)16/h3-4,9,11,17H,5-8,16H2,1-2H3
InChIKeyOJZSVBQLXAKJHC-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.41
Rot. Bonds2

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

4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine (PubChem CID 65342799) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine
PubChem CID65342799
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine
SMILESCC1(C)CCC(Nc2cc(Br)ccc2N)CC1
InChIInChI=1S/C14H21BrN2/c1-14(2)7-5-11(6-8-14)17-13-9-10(15)3-4-12(13)16/h3-4,9,11,17H,5-8,16H2,1-2H3
InChIKeyOJZSVBQLXAKJHC-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.41
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-ethylcyclohexyl)benzene-1,2-diamine
CID 65343384
4-bromo-2-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 130201997
4-bromo-2-N-(4,4-dimethylcyclohexyl)-5-fluorobenzene-1,2-diamine
CID 116735998
5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
CID 80705464
5-bromo-2-[(4,4-dimethylcyclohexyl)amino]benzenecarbothioamide
CID 114891836
4-bromo-2-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 65343279
5-bromo-2-[(4,4-dimethylcycloheptyl)amino]benzonitrile
CID 82708566
4-bromo-2-N-(2,2-diethyloxan-4-yl)benzene-1,2-diamine
CID 83027025
4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
4-bromo-2-N-(1-ethylpiperidin-3-yl)benzene-1,2-diamine
CID 65343642
4-(2-amino-4-bromoanilino)-1-methylcyclohexan-1-ol;4-(4-bromo-2-nitroanilino)-1-methylcyclohexan-1-ol
CID 159558435
5-bromo-2-chloro-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
CID 114051935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine (CID 65342799) is 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine is CC1(C)CCC(Nc2cc(Br)ccc2N)CC1.
What is the InChIKey of 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine?
The InChIKey is OJZSVBQLXAKJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2)7-5-11(6-8-14)17-13-9-10(15)3-4-12(13)16/h3-4,9,11,17H,5-8,16H2,1-2H3.
What are the key properties of 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine?
4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine has a molecular weight of 297.24 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 65342799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).