(1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol

C20H25NO — CID 70235725

IUPAC(1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCCC1c1ccccc1
InChIInChI=1S/C20H25NO/c21-19(14-15-8-3-1-4-9-15)20(22)18-13-7-12-17(18)16-10-5-2-6-11-16/h1-6,8-11,17-20,22H,7,12-14,21H2/t17?,18-,19-,20-/m0/s1
InChIKeyFZFRNVPDAOTUKK-NIVVRJPPSA-N
MW295.43 g/mol
LogP3.50
Rot. Bonds5

About (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol

(1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol (PubChem CID 70235725) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol
PubChem CID70235725
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCCC1c1ccccc1
InChIInChI=1S/C20H25NO/c21-19(14-15-8-3-1-4-9-15)20(22)18-13-7-12-17(18)16-10-5-2-6-11-16/h1-6,8-11,17-20,22H,7,12-14,21H2/t17?,18-,19-,20-/m0/s1
InChIKeyFZFRNVPDAOTUKK-NIVVRJPPSA-N
XLogP3.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
CID 70065894
2-amino-3-phenyl-1-(5-phenylpyrrolidin-2-yl)propan-1-ol
CID 90822635
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 15947125
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
2-cyclohexyl-4-phenylbutane-1,3-diamine
CID 20848425
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride
CID 15947124
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
(1S,2S,3S)-3-amino-4-phenyl-1-[(2S)-pyrrolidin-2-yl]butane-1,2-diol
CID 58964092
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol?
The IUPAC name of (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol (CID 70235725) is (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol?
The canonical SMILES for (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol is N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCCC1c1ccccc1.
What is the InChIKey of (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol?
The InChIKey is FZFRNVPDAOTUKK-NIVVRJPPSA-N. The full InChI is InChI=1S/C20H25NO/c21-19(14-15-8-3-1-4-9-15)20(22)18-13-7-12-17(18)16-10-5-2-6-11-16/h1-6,8-11,17-20,22H,7,12-14,21H2/t17?,18-,19-,20-/m0/s1.
What are the key properties of (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol?
(1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol is sourced from PubChem (CID 70235725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).