trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol

C18H21NO — CID 102733078

IUPACtrans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c20-17-13-7-12-16(17)19-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2/t16-,17-/m0/s1
InChIKeyOWKWNYGLXXGFJW-IRXDYDNUSA-N
MW267.37 g/mol
LogP3.28
Rot. Bonds4

About trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol (PubChem CID 102733078) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol
PubChem CID102733078
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Nametrans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c20-17-13-7-12-16(17)19-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2/t16-,17-/m0/s1
InChIKeyOWKWNYGLXXGFJW-IRXDYDNUSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol (CID 102733078) is trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol?
The InChIKey is OWKWNYGLXXGFJW-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21NO/c20-17-13-7-12-16(17)19-18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).