trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol

C12H17NO — CID 93345908

IUPACtrans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
SMILESCc1ccc(N[C@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C12H17NO/c1-9-5-7-10(8-6-9)13-11-3-2-4-12(11)14/h5-8,11-14H,2-4H2,1H3/t11-,12-/m0/s1
InChIKeyJXQBIWNBMPXKFB-RYUDHWBXSA-N
MW191.27 g/mol
LogP2.32
Rot. Bonds2

About trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol (PubChem CID 93345908) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
PubChem CID93345908
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nametrans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
SMILESCc1ccc(N[C@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C12H17NO/c1-9-5-7-10(8-6-9)13-11-3-2-4-12(11)14/h5-8,11-14H,2-4H2,1H3/t11-,12-/m0/s1
InChIKeyJXQBIWNBMPXKFB-RYUDHWBXSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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
trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
CID 102732975
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
CID 104953006
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
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
2-methyl-N-(4-methylphenyl)thian-3-amine
CID 79957900

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol (CID 93345908) is trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol is Cc1ccc(N[C@H]2CCC[C@@H]2O)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol?
The InChIKey is JXQBIWNBMPXKFB-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-7-10(8-6-9)13-11-3-2-4-12(11)14/h5-8,11-14H,2-4H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol is sourced from PubChem (CID 93345908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).