(3-chloro-4-fluorophenyl)-cyclohexylmethanamine

C13H17ClFN — CID 63093302

IUPAC(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
SMILESNC(c1ccc(F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H17ClFN/c14-11-8-10(6-7-12(11)15)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2
InChIKeyVGLVNAYFXFJBRF-UHFFFAOYSA-N
MW241.74 g/mol
LogP4.06
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-cyclohexylmethanamine

(3-chloro-4-fluorophenyl)-cyclohexylmethanamine (PubChem CID 63093302) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
PubChem CID63093302
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
SMILESNC(c1ccc(F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H17ClFN/c14-11-8-10(6-7-12(11)15)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2
InChIKeyVGLVNAYFXFJBRF-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
CID 131491152
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
(R)-[3-chloro-4-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171215256
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-cyclohexylmethanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-cyclohexylmethanamine (CID 63093302) is (3-chloro-4-fluorophenyl)-cyclohexylmethanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-cyclohexylmethanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-cyclohexylmethanamine is NC(c1ccc(F)c(Cl)c1)C1CCCCC1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-cyclohexylmethanamine?
The InChIKey is VGLVNAYFXFJBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-11-8-10(6-7-12(11)15)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2.
What are the key properties of (3-chloro-4-fluorophenyl)-cyclohexylmethanamine?
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine has a molecular weight of 241.74 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-cyclohexylmethanamine is sourced from PubChem (CID 63093302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).