1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine

C14H19ClFN — CID 164667498

IUPAC1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
SMILESCC(N)(c1cc(F)ccc1Cl)C1CCCCC1
InChIInChI=1S/C14H19ClFN/c1-14(17,10-5-3-2-4-6-10)12-9-11(16)7-8-13(12)15/h7-10H,2-6,17H2,1H3
InChIKeySKVMVGLUCDKTFV-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.23
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine

1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine (PubChem CID 164667498) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
PubChem CID164667498
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
SMILESCC(N)(c1cc(F)ccc1Cl)C1CCCCC1
InChIInChI=1S/C14H19ClFN/c1-14(17,10-5-3-2-4-6-10)12-9-11(16)7-8-13(12)15/h7-10H,2-6,17H2,1H3
InChIKeySKVMVGLUCDKTFV-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-Fluorophenyl)cyclohexylamine
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1-(4-Fluorophenyl)cyclohexan-1-amine hydrochloride
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[3-Chloranyl-4-(2-fluorophenyl)phenyl]methanamine
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cis-(1S,2R)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730203
trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
CID 118732674
1-(2-Fluorophenyl)cyclohexan-1-amine hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine (CID 164667498) is 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine is CC(N)(c1cc(F)ccc1Cl)C1CCCCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine?
The InChIKey is SKVMVGLUCDKTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-14(17,10-5-3-2-4-6-10)12-9-11(16)7-8-13(12)15/h7-10H,2-6,17H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine?
1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine has a molecular weight of 255.76 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine is sourced from PubChem (CID 164667498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).