trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine

C15H22N2 — CID 102738931

IUPACtrans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1N1CC(c2ccccc2)C1
InChIInChI=1S/C15H22N2/c16-14-8-4-5-9-15(14)17-10-13(11-17)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,16H2/t14-,15-/m1/s1
InChIKeyCYZGXLVYGLCERG-HUUCEWRRSA-N
MW230.36 g/mol
LogP2.36
Rot. Bonds2

About trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine

trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine (PubChem CID 102738931) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
PubChem CID102738931
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Nametrans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1N1CC(c2ccccc2)C1
InChIInChI=1S/C15H22N2/c16-14-8-4-5-9-15(14)17-10-13(11-17)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,16H2/t14-,15-/m1/s1
InChIKeyCYZGXLVYGLCERG-HUUCEWRRSA-N
XLogP2.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
CID 79677158
2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine
CID 62133199
(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol
CID 175542563
3-(3-phenylazetidin-1-yl)cyclobutan-1-amine
CID 79678559
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine
CID 15474043
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
cyclopentylbenzene;iron
CID 158512704
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
CID 159076923
CID 159076923
1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione
CID 102738905

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine (CID 102738931) is trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1N1CC(c2ccccc2)C1.
What is the InChIKey of trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine?
The InChIKey is CYZGXLVYGLCERG-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22N2/c16-14-8-4-5-9-15(14)17-10-13(11-17)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,16H2/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine?
trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine has a molecular weight of 230.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-phenylazetidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 102738931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).