trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol

C12H16BrNO — CID 102733136

IUPACtrans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
SMILESCc1ccc(Br)cc1N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H16BrNO/c1-8-5-6-9(13)7-11(8)14-10-3-2-4-12(10)15/h5-7,10,12,14-15H,2-4H2,1H3/t10-,12-/m1/s1
InChIKeyNKGWCLSWKYJPDT-ZYHUDNBSSA-N
MW270.17 g/mol
LogP3.08
Rot. Bonds2

About trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol (PubChem CID 102733136) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
PubChem CID102733136
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Nametrans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
SMILESCc1ccc(Br)cc1N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H16BrNO/c1-8-5-6-9(13)7-11(8)14-10-3-2-4-12(10)15/h5-7,10,12,14-15H,2-4H2,1H3/t10-,12-/m1/s1
InChIKeyNKGWCLSWKYJPDT-ZYHUDNBSSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
CID 15550734
5-bromo-2-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044140
2-(5-amino-2-methylanilino)cyclohexan-1-ol
CID 62590729
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941
4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 114905279
trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733137
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
3-[(2-hydroxycycloheptyl)amino]-4-methylbenzonitrile
CID 62103743
trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
CID 102734035
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
2-[(6-bromonaphthalen-2-yl)amino]cyclopentan-1-ol
CID 81259521

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol (CID 102733136) is trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol is Cc1ccc(Br)cc1N[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol?
The InChIKey is NKGWCLSWKYJPDT-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-5-6-9(13)7-11(8)14-10-3-2-4-12(10)15/h5-7,10,12,14-15H,2-4H2,1H3/t10-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol has a molecular weight of 270.17 g/mol, XLogP of 3.08, 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-(5-bromo-2-methylanilino)cyclopentan-1-ol is sourced from PubChem (CID 102733136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).