cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine

C13H19N — CID 92754803

IUPACcis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1CCc1ccccc1
InChIInChI=1S/C13H19N/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,14H2/t12-,13+/m0/s1
InChIKeyIHXFUYTXTVDHIK-QWHCGFSZSA-N
MW189.30 g/mol
LogP2.75
Rot. Bonds3

About cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine

cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine (PubChem CID 92754803) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
PubChem CID92754803
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Namecis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1CCc1ccccc1
InChIInChI=1S/C13H19N/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,14H2/t12-,13+/m0/s1
InChIKeyIHXFUYTXTVDHIK-QWHCGFSZSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
2-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 65487102
CID 162338619
CID 162338619
4-(2-phenylethyl)thiolan-3-amine
CID 75355570
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
CID 81013816
2-(2-phenylethoxy)cyclopentan-1-amine
CID 43127941
cis-(1R,2R)-2-[3-(4-chlorophenyl)propyl]cyclopentan-1-amine
CID 91570525
2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 63061613
2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
CID 72711714
2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 62616072
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
2-phenylethylcyclooctane
CID 54073487

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine (CID 92754803) is cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine is N[C@@H]1CCC[C@H]1CCc1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine?
The InChIKey is IHXFUYTXTVDHIK-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19N/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,14H2/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine?
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine is sourced from PubChem (CID 92754803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).