2-(4-bromo-2-methylanilino)cyclopentan-1-ol

C12H16BrNO — CID 60884392

IUPAC2-(4-bromo-2-methylanilino)cyclopentan-1-ol
SMILESCc1cc(Br)ccc1NC1CCCC1O
InChIInChI=1S/C12H16BrNO/c1-8-7-9(13)5-6-10(8)14-11-3-2-4-12(11)15/h5-7,11-12,14-15H,2-4H2,1H3
InChIKeyUBHUNIIPAJXSSD-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.08
Rot. Bonds2

About 2-(4-bromo-2-methylanilino)cyclopentan-1-ol

2-(4-bromo-2-methylanilino)cyclopentan-1-ol (PubChem CID 60884392) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)cyclopentan-1-ol
PubChem CID60884392
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(4-bromo-2-methylanilino)cyclopentan-1-ol
SMILESCc1cc(Br)ccc1NC1CCCC1O
InChIInChI=1S/C12H16BrNO/c1-8-7-9(13)5-6-10(8)14-11-3-2-4-12(11)15/h5-7,11-12,14-15H,2-4H2,1H3
InChIKeyUBHUNIIPAJXSSD-UHFFFAOYSA-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

trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
CID 62742205
trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733137
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43758826
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 60885883
2-(4-bromo-2,6-dimethylanilino)cycloheptan-1-ol
CID 63489177
4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
CID 64773689
trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
CID 102734035
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
2-[(6-bromonaphthalen-2-yl)amino]cyclopentan-1-ol
CID 81259521

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)cyclopentan-1-ol?
The IUPAC name of 2-(4-bromo-2-methylanilino)cyclopentan-1-ol (CID 60884392) is 2-(4-bromo-2-methylanilino)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)cyclopentan-1-ol?
The canonical SMILES for 2-(4-bromo-2-methylanilino)cyclopentan-1-ol is Cc1cc(Br)ccc1NC1CCCC1O.
What is the InChIKey of 2-(4-bromo-2-methylanilino)cyclopentan-1-ol?
The InChIKey is UBHUNIIPAJXSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-7-9(13)5-6-10(8)14-11-3-2-4-12(11)15/h5-7,11-12,14-15H,2-4H2,1H3.
What are the key properties of 2-(4-bromo-2-methylanilino)cyclopentan-1-ol?
2-(4-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 2-(4-bromo-2-methylanilino)cyclopentan-1-ol is sourced from PubChem (CID 60884392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).