[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine

C14H19ClFN — CID 112655044

IUPAC[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1Cc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFN/c15-14-11(6-3-7-13(14)16)8-10-4-1-2-5-12(10)9-17/h3,6-7,10,12H,1-2,4-5,8-9,17H2
InChIKeyMXYFPTKQFVGFBV-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.79
Rot. Bonds3

About [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine

[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine (PubChem CID 112655044) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
PubChem CID112655044
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
SMILESNCC1CCCCC1Cc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFN/c15-14-11(6-3-7-13(14)16)8-10-4-1-2-5-12(10)9-17/h3,6-7,10,12H,1-2,4-5,8-9,17H2
InChIKeyMXYFPTKQFVGFBV-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine 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

[2-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 81010182
2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
CID 112652653
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
[2-[(2,6-difluorophenyl)methyl]cyclopentyl]methanamine
CID 114935146
6-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115983185
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine
CID 81010671
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene
CID 63471632
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine (CID 112655044) is [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine is NCC1CCCCC1Cc1cccc(F)c1Cl.
What is the InChIKey of [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine?
The InChIKey is MXYFPTKQFVGFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-14-11(6-3-7-13(14)16)8-10-4-1-2-5-12(10)9-17/h3,6-7,10,12H,1-2,4-5,8-9,17H2.
What are the key properties of [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine?
[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine has a molecular weight of 255.76 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 112655044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).