trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol

C13H19NO — CID 102732999

IUPACtrans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
SMILESCc1ccc(N[C@@H]2CCC[C@H]2O)cc1C
InChIInChI=1S/C13H19NO/c1-9-6-7-11(8-10(9)2)14-12-4-3-5-13(12)15/h6-8,12-15H,3-5H2,1-2H3/t12-,13-/m1/s1
InChIKeyKHNALGMIWHYZCZ-CHWSQXEVSA-N
MW205.30 g/mol
LogP2.63
Rot. Bonds2

About trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol (PubChem CID 102732999) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
PubChem CID102732999
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nametrans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
SMILESCc1ccc(N[C@@H]2CCC[C@H]2O)cc1C
InChIInChI=1S/C13H19NO/c1-9-6-7-11(8-10(9)2)14-12-4-3-5-13(12)15/h6-8,12-15H,3-5H2,1-2H3/t12-,13-/m1/s1
InChIKeyKHNALGMIWHYZCZ-CHWSQXEVSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol (CID 102732999) is trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol is Cc1ccc(N[C@@H]2CCC[C@H]2O)cc1C.
What is the InChIKey of trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol?
The InChIKey is KHNALGMIWHYZCZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-7-11(8-10(9)2)14-12-4-3-5-13(12)15/h6-8,12-15H,3-5H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol is sourced from PubChem (CID 102732999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).