[(1R,3S)-3-phenylcyclopentyl]methanamine

C12H17N — CID 95435358

IUPAC[(1R,3S)-3-phenylcyclopentyl]methanamine
SMILESNC[C@@H]1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C12H17N/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9,13H2/t10-,12+/m1/s1
InChIKeyARQITJXMBWHLFZ-PWSUYJOCSA-N
MW175.28 g/mol
LogP2.53
Rot. Bonds2

About [(1R,3S)-3-phenylcyclopentyl]methanamine

[(1R,3S)-3-phenylcyclopentyl]methanamine (PubChem CID 95435358) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is [(1R,3S)-3-phenylcyclopentyl]methanamine.

Molecular Properties

Compound Name[(1R,3S)-3-phenylcyclopentyl]methanamine
PubChem CID95435358
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name[(1R,3S)-3-phenylcyclopentyl]methanamine
SMILESNC[C@@H]1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C12H17N/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9,13H2/t10-,12+/m1/s1
InChIKeyARQITJXMBWHLFZ-PWSUYJOCSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
(3-pyridin-4-ylcyclopentyl)methanamine
CID 82280551
[3-(4-ethylphenyl)cyclopentyl]methanamine
CID 82282659
[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine
CID 43428907
[3-(2-fluorophenyl)cyclopentyl]methanamine
CID 82281650
benzene;cyclopropylbenzene
CID 144638417
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615
[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
CID 57365027
[3-(bromomethyl)cyclohexyl]benzene
CID 174846127
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620
[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
CID 50989531
(3-methylcyclopentyl)benzene;propane
CID 142973096

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-phenylcyclopentyl]methanamine?
The IUPAC name of [(1R,3S)-3-phenylcyclopentyl]methanamine (CID 95435358) is [(1R,3S)-3-phenylcyclopentyl]methanamine.
What is the SMILES notation for [(1R,3S)-3-phenylcyclopentyl]methanamine?
The canonical SMILES for [(1R,3S)-3-phenylcyclopentyl]methanamine is NC[C@@H]1CC[C@H](c2ccccc2)C1.
What is the InChIKey of [(1R,3S)-3-phenylcyclopentyl]methanamine?
The InChIKey is ARQITJXMBWHLFZ-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H17N/c13-9-10-6-7-12(8-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9,13H2/t10-,12+/m1/s1.
What are the key properties of [(1R,3S)-3-phenylcyclopentyl]methanamine?
[(1R,3S)-3-phenylcyclopentyl]methanamine has a molecular weight of 175.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-phenylcyclopentyl]methanamine is sourced from PubChem (CID 95435358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).