[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine

C15H21ClFN — CID 112654779

IUPAC[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(Cc2cccc(F)c2Cl)CC1
InChIInChI=1S/C15H21ClFN/c1-11-5-7-15(10-18,8-6-11)9-12-3-2-4-13(17)14(12)16/h2-4,11H,5-10,18H2,1H3
InChIKeyZPKWKRYSECXWPZ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds3

About [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine

[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 112654779) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID112654779
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(Cc2cccc(F)c2Cl)CC1
InChIInChI=1S/C15H21ClFN/c1-11-5-7-15(10-18,8-6-11)9-12-3-2-4-13(17)14(12)16/h2-4,11H,5-10,18H2,1H3
InChIKeyZPKWKRYSECXWPZ-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 112654253
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 114934762
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277013
[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine
CID 63521434
[1-[(2,3-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65391305
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine (CID 112654779) is [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine is CC1CCC(CN)(Cc2cccc(F)c2Cl)CC1.
What is the InChIKey of [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is ZPKWKRYSECXWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11-5-7-15(10-18,8-6-11)9-12-3-2-4-13(17)14(12)16/h2-4,11H,5-10,18H2,1H3.
What are the key properties of [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 269.79 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 112654779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).