2-(3-bromoanilino)cyclohexan-1-ol

C12H16BrNO — CID 60884414

IUPAC2-(3-bromoanilino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c13-9-4-3-5-10(8-9)14-11-6-1-2-7-12(11)15/h3-5,8,11-12,14-15H,1-2,6-7H2
InChIKeyBBNFTXHLVANGCP-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.16
Rot. Bonds2

About 2-(3-bromoanilino)cyclohexan-1-ol

2-(3-bromoanilino)cyclohexan-1-ol (PubChem CID 60884414) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(3-bromoanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-bromoanilino)cyclohexan-1-ol
PubChem CID60884414
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(3-bromoanilino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c13-9-4-3-5-10(8-9)14-11-6-1-2-7-12(11)15/h3-5,8,11-12,14-15H,1-2,6-7H2
InChIKeyBBNFTXHLVANGCP-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromoanilino)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
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-(1R,2R)-2-(3-methylsulfanylanilino)cyclohexan-1-ol
CID 102730841
trans-(1S,2S)-2-(3-ethynylanilino)cyclohexan-1-ol
CID 102730833
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989
2-[(5-bromo-3-pyridinyl)amino]cycloheptan-1-ol
CID 104531921
2-(3-bromoanilino)cyclobutane-1-carboxylic acid
CID 103234478

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)cyclohexan-1-ol?
The IUPAC name of 2-(3-bromoanilino)cyclohexan-1-ol (CID 60884414) is 2-(3-bromoanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-bromoanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(3-bromoanilino)cyclohexan-1-ol is OC1CCCCC1Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)cyclohexan-1-ol?
The InChIKey is BBNFTXHLVANGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-9-4-3-5-10(8-9)14-11-6-1-2-7-12(11)15/h3-5,8,11-12,14-15H,1-2,6-7H2.
What are the key properties of 2-(3-bromoanilino)cyclohexan-1-ol?
2-(3-bromoanilino)cyclohexan-1-ol has a molecular weight of 270.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)cyclohexan-1-ol is sourced from PubChem (CID 60884414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).