N-benzyl-2-chlorocyclohexan-1-amine

C13H18ClN — CID 65025438

IUPACN-benzyl-2-chlorocyclohexan-1-amine
SMILESClC1CCCCC1NCc1ccccc1
InChIInChI=1S/C13H18ClN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2
InChIKeyJSMUUZYDVAZAAS-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.33
Rot. Bonds3

About N-benzyl-2-chlorocyclohexan-1-amine

N-benzyl-2-chlorocyclohexan-1-amine (PubChem CID 65025438) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-benzyl-2-chlorocyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-chlorocyclohexan-1-amine
PubChem CID65025438
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-benzyl-2-chlorocyclohexan-1-amine
SMILESClC1CCCCC1NCc1ccccc1
InChIInChI=1S/C13H18ClN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2
InChIKeyJSMUUZYDVAZAAS-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
CID 122225965
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 65025555
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65025495
trans-(1R,2R)-1-N-benzyl-2-N,2-N-diethylcyclohexane-1,2-diamine
CID 101206907

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chlorocyclohexan-1-amine?
The IUPAC name of N-benzyl-2-chlorocyclohexan-1-amine (CID 65025438) is N-benzyl-2-chlorocyclohexan-1-amine.
What is the SMILES notation for N-benzyl-2-chlorocyclohexan-1-amine?
The canonical SMILES for N-benzyl-2-chlorocyclohexan-1-amine is ClC1CCCCC1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-chlorocyclohexan-1-amine?
The InChIKey is JSMUUZYDVAZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,15H,4-5,8-10H2.
What are the key properties of N-benzyl-2-chlorocyclohexan-1-amine?
N-benzyl-2-chlorocyclohexan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chlorocyclohexan-1-amine is sourced from PubChem (CID 65025438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).