trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol

C14H21NO — CID 102733092

IUPACtrans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
SMILESCCCc1ccc(N[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO/c1-2-4-11-7-9-12(10-8-11)15-13-5-3-6-14(13)16/h7-10,13-16H,2-6H2,1H3/t13-,14-/m1/s1
InChIKeyHPJDSJMITCGOKS-ZIAGYGMSSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds4

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

trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol (PubChem CID 102733092) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
PubChem CID102733092
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
SMILESCCCc1ccc(N[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO/c1-2-4-11-7-9-12(10-8-11)15-13-5-3-6-14(13)16/h7-10,13-16H,2-6H2,1H3/t13-,14-/m1/s1
InChIKeyHPJDSJMITCGOKS-ZIAGYGMSSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
N-(4-propylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43503217
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
2-(4-ethoxyanilino)cyclohexan-1-ol
CID 60883757
2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815927
cis-(1R,2R)-2-(4-propylphenyl)cyclopentan-1-ol
CID 26595070
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
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-propylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol (CID 102733092) is trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol is CCCc1ccc(N[C@@H]2CCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol?
The InChIKey is HPJDSJMITCGOKS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-4-11-7-9-12(10-8-11)15-13-5-3-6-14(13)16/h7-10,13-16H,2-6H2,1H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.96, 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-(4-propylanilino)cyclopentan-1-ol is sourced from PubChem (CID 102733092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).