trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol

C14H21NO — CID 102732975

IUPACtrans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
SMILESCC(C)c1ccc(N[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO/c1-10(2)11-6-8-12(9-7-11)15-13-4-3-5-14(13)16/h6-10,13-16H,3-5H2,1-2H3/t13-,14-/m1/s1
InChIKeyFZRCWJQYCIQRPR-ZIAGYGMSSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds3

About trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol (PubChem CID 102732975) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
PubChem CID102732975
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
SMILESCC(C)c1ccc(N[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO/c1-10(2)11-6-8-12(9-7-11)15-13-4-3-5-14(13)16/h6-10,13-16H,3-5H2,1-2H3/t13-,14-/m1/s1
InChIKeyFZRCWJQYCIQRPR-ZIAGYGMSSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056
N-(2-ethylcyclohexyl)-4-propan-2-ylaniline
CID 63862131
N-(2,6-dimethylcyclohexyl)-4-propan-2-ylaniline
CID 43110755
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091
trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733092
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol (CID 102732975) is trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol is CC(C)c1ccc(N[C@@H]2CCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol?
The InChIKey is FZRCWJQYCIQRPR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)11-6-8-12(9-7-11)15-13-4-3-5-14(13)16/h6-10,13-16H,3-5H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol is sourced from PubChem (CID 102732975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).