1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride

C12H17ClFN — CID 45259864

IUPAC1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C12H16FN.ClH/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12;/h4-6,9H,1-3,7-8,14H2;1H
InChIKeyBARCOTMUPUMNSC-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.37
Rot. Bonds1

About 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride

1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 45259864) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride
PubChem CID45259864
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C12H16FN.ClH/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12;/h4-6,9H,1-3,7-8,14H2;1H
InChIKeyBARCOTMUPUMNSC-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride (CID 45259864) is 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride is Cl.NC1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is BARCOTMUPUMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN.ClH/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12;/h4-6,9H,1-3,7-8,14H2;1H.
What are the key properties of 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride?
1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).