trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol

C12H17NO — CID 121226832

IUPACtrans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol
SMILESC[C@]1(Nc2ccccc2)CCC[C@H]1O
InChIInChI=1S/C12H17NO/c1-12(9-5-8-11(12)14)13-10-6-3-2-4-7-10/h2-4,6-7,11,13-14H,5,8-9H2,1H3/t11-,12+/m1/s1
InChIKeyMZCCANGORWTMHT-NEPJUHHUSA-N
MW191.27 g/mol
LogP2.40
Rot. Bonds2

About trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol

trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol (PubChem CID 121226832) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol
PubChem CID121226832
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nametrans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol
SMILESC[C@]1(Nc2ccccc2)CCC[C@H]1O
InChIInChI=1S/C12H17NO/c1-12(9-5-8-11(12)14)13-10-6-3-2-4-7-10/h2-4,6-7,11,13-14H,5,8-9H2,1H3/t11-,12+/m1/s1
InChIKeyMZCCANGORWTMHT-NEPJUHHUSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol (CID 121226832) is trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol is C[C@]1(Nc2ccccc2)CCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol?
The InChIKey is MZCCANGORWTMHT-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(9-5-8-11(12)14)13-10-6-3-2-4-7-10/h2-4,6-7,11,13-14H,5,8-9H2,1H3/t11-,12+/m1/s1.
What are the key properties of trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol?
trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol is sourced from PubChem (CID 121226832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).