trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride

C12H18ClN — CID 21128019

IUPACtrans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H17N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-3,6-7,11-12H,4-5,8-9,13H2;1H/t11-,12+;/m1./s1
InChIKeyFPWNXZWCBDBELJ-LYCTWNKOSA-N
MW211.74 g/mol
LogP3.09
Rot. Bonds1

About trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride

trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 21128019) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
PubChem CID21128019
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Nametrans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H17N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-3,6-7,11-12H,4-5,8-9,13H2;1H/t11-,12+;/m1./s1
InChIKeyFPWNXZWCBDBELJ-LYCTWNKOSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
CID 158450943
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
3-[(1S,2S)-2-aminocyclohexyl]aniline
CID 131176039
3-[(1R,2S)-2-aminocyclohexyl]aniline
CID 130754424
2-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 21319672
cis-(1R,2R)-2-(4-chlorophenyl)cyclopentan-1-amine
CID 11095547
(1R)-2-(4-fluorophenyl)cyclopentan-1-amine
CID 70223067
2-(4-nitrophenyl)cyclohexan-1-amine
CID 82242146
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
CID 130762341
1-bromo-2-phenylcycloheptane
CID 63510810
(3S,4R)-3-phenyloxan-4-amine
CID 140767373
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride (CID 21128019) is trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride is Cl.N[C@H]1CCCC[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is FPWNXZWCBDBELJ-LYCTWNKOSA-N. The full InChI is InChI=1S/C12H17N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-3,6-7,11-12H,4-5,8-9,13H2;1H/t11-,12+;/m1./s1.
What are the key properties of trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride?
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 21128019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).