trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol

C12H17NO2 — CID 93345904

IUPACtrans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
SMILESCOc1cccc(N[C@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C12H17NO2/c1-15-10-5-2-4-9(8-10)13-11-6-3-7-12(11)14/h2,4-5,8,11-14H,3,6-7H2,1H3/t11-,12-/m0/s1
InChIKeyUKSQVZQOJMECGH-RYUDHWBXSA-N
MW207.27 g/mol
LogP2.02
Rot. Bonds3

About trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol (PubChem CID 93345904) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
PubChem CID93345904
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nametrans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
SMILESCOc1cccc(N[C@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C12H17NO2/c1-15-10-5-2-4-9(8-10)13-11-6-3-7-12(11)14/h2,4-5,8,11-14H,3,6-7H2,1H3/t11-,12-/m0/s1
InChIKeyUKSQVZQOJMECGH-RYUDHWBXSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643
trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
CID 102733058
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
2-(3-methylsulfanylanilino)cyclopentan-1-ol
CID 60886676
3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
trans-(1R,2R)-2-(3-methylsulfanylanilino)cyclohexan-1-ol
CID 102730841
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol (CID 93345904) is trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol is COc1cccc(N[C@H]2CCC[C@@H]2O)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol?
The InChIKey is UKSQVZQOJMECGH-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-10-5-2-4-9(8-10)13-11-6-3-7-12(11)14/h2,4-5,8,11-14H,3,6-7H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol is sourced from PubChem (CID 93345904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).