1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine

C13H17ClFN — CID 105394080

IUPAC1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C13H17ClFN/c1-9-4-6-13(16,7-5-9)11-8-10(15)2-3-12(11)14/h2-3,8-9H,4-7,16H2,1H3
InChIKeySZDCHBOTXIHDLY-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.84
Rot. Bonds1

About 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine

1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine (PubChem CID 105394080) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
PubChem CID105394080
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C13H17ClFN/c1-9-4-6-13(16,7-5-9)11-8-10(15)2-3-12(11)14/h2-3,8-9H,4-7,16H2,1H3
InChIKeySZDCHBOTXIHDLY-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine (CID 105394080) is 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine is CC1CCC(N)(c2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine?
The InChIKey is SZDCHBOTXIHDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-4-6-13(16,7-5-9)11-8-10(15)2-3-12(11)14/h2-3,8-9H,4-7,16H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine?
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.84, 1 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)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 105394080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).