[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine

C14H19ClFN — CID 81010425

IUPAC[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(c2ccc(Cl)cc2F)C1
InChIInChI=1S/C14H19ClFN/c1-9-2-3-10(8-17)13(6-9)12-5-4-11(15)7-14(12)16/h4-5,7,9-10,13H,2-3,6,8,17H2,1H3
InChIKeyNANIZKQICXTHPA-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.96
Rot. Bonds2

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

[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine (PubChem CID 81010425) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
PubChem CID81010425
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(c2ccc(Cl)cc2F)C1
InChIInChI=1S/C14H19ClFN/c1-9-2-3-10(8-17)13(6-9)12-5-4-11(15)7-14(12)16/h4-5,7,9-10,13H,2-3,6,8,17H2,1H3
InChIKeyNANIZKQICXTHPA-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-Chlorophenyl)propan-1-amine
CID 6485772
[1-(4-Chlorophenyl)cyclohexyl]methanamine
CID 12335824
(2R)-2-(4-Chlorophenyl)-2-phenylethanamine
CID 16122635
C-[3-(4-Chloro-phenyl)-bicyclo[2.2.1]hept-2-yl]-methylamine
CID 44382439
C-[3-(4-Chloro-phenyl)-bicyclo[2.2.2]oct-2-yl]-methylamine
CID 44382592
C-[3-(3-Chloro-phenyl)-bicyclo[2.2.2]oct-2-yl]-methylamine
CID 44382593
[(1S,2S)-2-(4-chloro-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572163
[(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride
CID 44572206
[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572811
2-[4-(4-Chlorophenyl)phenyl]ethanamine;hydrochloride
CID 66523802
trans-(1S,2R)-2-(4-chloro-2,5-difluorophenyl)cyclopropan-1-amine
CID 168269274
cis-(1R,2R)-2-(4-chloro-2,5-difluorophenyl)cyclopropan-1-amine
CID 168285462

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine (CID 81010425) is [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(c2ccc(Cl)cc2F)C1.
What is the InChIKey of [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine?
The InChIKey is NANIZKQICXTHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9-2-3-10(8-17)13(6-9)12-5-4-11(15)7-14(12)16/h4-5,7,9-10,13H,2-3,6,8,17H2,1H3.
What are the key properties of [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine?
[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine has a molecular weight of 255.76 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81010425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).