cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride

C12H17ClFN — CID 168719722

IUPACcis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FN.ClH/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10;/h4-7,10,12H,1-3,8,14H2;1H/t10-,12+;/m0./s1
InChIKeyPUASVLGQMFLAQC-XOZOLZJESA-N
MW229.73 g/mol
LogP3.23
Rot. Bonds1

About cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride

cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 168719722) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride
PubChem CID168719722
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Namecis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FN.ClH/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10;/h4-7,10,12H,1-3,8,14H2;1H/t10-,12+;/m0./s1
InChIKeyPUASVLGQMFLAQC-XOZOLZJESA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-3-(4-fluorophenyl)cyclopentan-1-amine
CID 94827218
3-(4-cyclobutylphenyl)cyclopentan-1-amine
CID 116506752
3-(3,5-difluorophenyl)cyclohexan-1-amine
CID 64503888
3-(3,5-difluorophenyl)cycloheptan-1-amine
CID 64505323
3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 103852553
cis-(1R,3S)-3-(4-fluorophenyl)cyclohexane-1-sulfonamide
CID 159193421
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
ethyl 4-(3-aminocyclohexyl)benzoate;hydrochloride
CID 171338367
3-(6-methyl-3-pyridinyl)cyclohexan-1-amine
CID 64503423
3-(2-fluorophenyl)cyclohexan-1-amine
CID 64503186
3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
CID 64504117

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride (CID 168719722) is cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride is Cl.N[C@@H]1CCC[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is PUASVLGQMFLAQC-XOZOLZJESA-N. The full InChI is InChI=1S/C12H16FN.ClH/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10;/h4-7,10,12H,1-3,8,14H2;1H/t10-,12+;/m0./s1.
What are the key properties of cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride?
cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4-fluorophenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 168719722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).