[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol

C12H17NO — CID 67361364

IUPAC[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
SMILESN[C@@]1(CO)CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H17NO/c13-12(9-14)7-6-11(8-12)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2/t11-,12+/m1/s1
InChIKeyFESYOMFDALIFNV-NEPJUHHUSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds2

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

[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol (PubChem CID 67361364) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
PubChem CID67361364
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
SMILESN[C@@]1(CO)CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H17NO/c13-12(9-14)7-6-11(8-12)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2/t11-,12+/m1/s1
InChIKeyFESYOMFDALIFNV-NEPJUHHUSA-N
XLogP1.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-amino-3-(4-bromophenyl)cyclopentyl]methanol
CID 77272966
[(1S,3R)-1-amino-3-[4-(3-phenylprop-1-ynyl)phenyl]cyclopentyl]methanol
CID 68937868
[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
CID 141211633
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
CID 68940187
[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol
CID 68941625
[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol
CID 68934675
[(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118899941
[(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 175065005
(1-amino-3-methylcyclopentyl)methanol
CID 64516223
[(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol
CID 46853562
1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine
CID 55096105

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol?
The IUPAC name of [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol (CID 67361364) is [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol is N[C@@]1(CO)CC[C@@H](c2ccccc2)C1.
What is the InChIKey of [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol?
The InChIKey is FESYOMFDALIFNV-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(9-14)7-6-11(8-12)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2/t11-,12+/m1/s1.
What are the key properties of [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol?
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-amino-3-phenylcyclopentyl]methanol is sourced from PubChem (CID 67361364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).