N-benzyl-N-bromocyclohexanamine

C13H18BrN — CID 140997611

IUPACN-benzyl-N-bromocyclohexanamine
SMILESBrN(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C13H18BrN/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyKGQXMXKQKBFVFD-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.13
Rot. Bonds3

About N-benzyl-N-bromocyclohexanamine

N-benzyl-N-bromocyclohexanamine (PubChem CID 140997611) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-benzyl-N-bromocyclohexanamine.

Molecular Properties

Compound NameN-benzyl-N-bromocyclohexanamine
PubChem CID140997611
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-benzyl-N-bromocyclohexanamine
SMILESBrN(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C13H18BrN/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyKGQXMXKQKBFVFD-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-benzyl-N-bromocyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(trifluoromethyl)cyclohexanamine
CID 175316581
1-benzyl-1-cyclohexylhydrazine;hydrochloride
CID 3028713
N,N-dibenzylcyclobutanamine
CID 70822586
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
N-benzyl-N-(4-fluorophenyl)cycloheptanamine
CID 67762250
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
benzene;N-benzylcyclohexanamine
CID 142622843
(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol
CID 92858666
cyclohexane;N,N-dibenzylhydroxylamine
CID 19709160

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-bromocyclohexanamine?
The IUPAC name of N-benzyl-N-bromocyclohexanamine (CID 140997611) is N-benzyl-N-bromocyclohexanamine.
What is the SMILES notation for N-benzyl-N-bromocyclohexanamine?
The canonical SMILES for N-benzyl-N-bromocyclohexanamine is BrN(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-bromocyclohexanamine?
The InChIKey is KGQXMXKQKBFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of N-benzyl-N-bromocyclohexanamine?
N-benzyl-N-bromocyclohexanamine has a molecular weight of 268.20 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-bromocyclohexanamine is sourced from PubChem (CID 140997611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).