trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol

C12H15BrClNO — CID 102734035

IUPACtrans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
SMILESCc1cc(Br)c(N[C@@H]2CCC[C@H]2O)cc1Cl
InChIInChI=1S/C12H15BrClNO/c1-7-5-8(13)11(6-9(7)14)15-10-3-2-4-12(10)16/h5-6,10,12,15-16H,2-4H2,1H3/t10-,12-/m1/s1
InChIKeyLFMCJIXOQZFQRC-ZYHUDNBSSA-N
MW304.62 g/mol
LogP3.74
Rot. Bonds2

About trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol (PubChem CID 102734035) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
PubChem CID102734035
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Nametrans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
SMILESCc1cc(Br)c(N[C@@H]2CCC[C@H]2O)cc1Cl
InChIInChI=1S/C12H15BrClNO/c1-7-5-8(13)11(6-9(7)14)15-10-3-2-4-12(10)16/h5-6,10,12,15-16H,2-4H2,1H3/t10-,12-/m1/s1
InChIKeyLFMCJIXOQZFQRC-ZYHUDNBSSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline
CID 113445401
trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
CID 102733775
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
3-(2-bromo-5-chloro-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 104722941
N-(2-bromo-5-chloro-4-methylphenyl)oxepan-4-amine
CID 113445409
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823
2-(2,4-dibromo-5-methoxyanilino)cycloheptan-1-ol
CID 103412767
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol (CID 102734035) is trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol is Cc1cc(Br)c(N[C@@H]2CCC[C@H]2O)cc1Cl.
What is the InChIKey of trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol?
The InChIKey is LFMCJIXOQZFQRC-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-7-5-8(13)11(6-9(7)14)15-10-3-2-4-12(10)16/h5-6,10,12,15-16H,2-4H2,1H3/t10-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol has a molecular weight of 304.62 g/mol, XLogP of 3.74, 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-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol is sourced from PubChem (CID 102734035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).