trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol

C18H21NO — CID 102732984

IUPACtrans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H21NO/c20-18-12-6-11-17(18)19-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,17-20H,6,11-13H2/t17-,18-/m1/s1
InChIKeyRNKSOFCWKYVZFM-QZTJIDSGSA-N
MW267.37 g/mol
LogP3.60
Rot. Bonds4

About trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol (PubChem CID 102732984) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
PubChem CID102732984
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Nametrans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C18H21NO/c20-18-12-6-11-17(18)19-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,17-20H,6,11-13H2/t17-,18-/m1/s1
InChIKeyRNKSOFCWKYVZFM-QZTJIDSGSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
2-acetamido-N-[(1R,2S,3R)-3-(2-benzylanilino)-2-hydroxycyclohexyl]-N-methylacetamide
CID 155984604
trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
CID 131701457
N-(2-benzylphenyl)azepan-4-amine
CID 103980459
N-(2-benzylphenyl)hydroxylamine
CID 3014197
(1R,2R)-1-N-(2-benzylphenyl)-2-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 139710562
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol (CID 102732984) is trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1ccccc1Cc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol?
The InChIKey is RNKSOFCWKYVZFM-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21NO/c20-18-12-6-11-17(18)19-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10,17-20H,6,11-13H2/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol is sourced from PubChem (CID 102732984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).