2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine

C13H17ClFN — CID 102616731

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFN/c14-12-6-5-11(15)8-10(12)7-9-3-1-2-4-13(9)16/h5-6,8-9,13H,1-4,7,16H2
InChIKeyYFGDDNLCTZQPJH-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.54
Rot. Bonds2

About 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine

2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 102616731) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
PubChem CID102616731
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFN/c14-12-6-5-11(15)8-10(12)7-9-3-1-2-4-13(9)16/h5-6,8-9,13H,1-4,7,16H2
InChIKeyYFGDDNLCTZQPJH-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine 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

1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 61382402
4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
CID 102616769
2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102616757
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 102621837
2-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 102616734
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine
CID 81010671
2-[(2-bromo-5-methylcyclohexyl)methyl]-1-chloro-4-fluorobenzene
CID 102619694

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine (CID 102616731) is 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine is NC1CCCCC1Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is YFGDDNLCTZQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-12-6-5-11(15)8-10(12)7-9-3-1-2-4-13(9)16/h5-6,8-9,13H,1-4,7,16H2.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine?
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 102616731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).