trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol

C11H14BrNO — CID 102733003

IUPACtrans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10-,11-/m1/s1
InChIKeyAUTHZULCFKZQRB-GHMZBOCLSA-N
MW256.14 g/mol
LogP2.77
Rot. Bonds2

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

trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol (PubChem CID 102733003) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
PubChem CID102733003
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Nametrans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10-,11-/m1/s1
InChIKeyAUTHZULCFKZQRB-GHMZBOCLSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
2-[(6-bromonaphthalen-2-yl)amino]cyclopentan-1-ol
CID 81259521
trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
CID 102733058
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
2-(3-methylsulfanylanilino)cyclopentan-1-ol
CID 60886676
trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
CID 99857915
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
2-(4-bromo-3-chloroanilino)cyclopentan-1-ol
CID 107619823
trans-(1R,2R)-2-(3-methylsulfanylanilino)cyclohexan-1-ol
CID 102730841

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol (CID 102733003) is trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1cccc(Br)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol?
The InChIKey is AUTHZULCFKZQRB-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol has a molecular weight of 256.14 g/mol, XLogP of 2.77, 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-bromoanilino)cyclopentan-1-ol is sourced from PubChem (CID 102733003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).