trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol

C14H21BrN2O — CID 102137510

IUPACtrans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol
SMILESCN(C)N[C@H]1CCCC[C@]1(O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-17(2)16-13-5-3-4-10-14(13,18)11-6-8-12(15)9-7-11/h6-9,13,16,18H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyYKASLHOUFDLMNT-KBPBESRZSA-N
MW313.24 g/mol
LogP2.65
Rot. Bonds3

About trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol

trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol (PubChem CID 102137510) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol
PubChem CID102137510
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Nametrans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol
SMILESCN(C)N[C@H]1CCCC[C@]1(O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-17(2)16-13-5-3-4-10-14(13,18)11-6-8-12(15)9-7-11/h6-9,13,16,18H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyYKASLHOUFDLMNT-KBPBESRZSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)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-(1S,2S)-2-(2,2-dimethylhydrazinyl)-1-(2-methylphenyl)cyclohexan-1-ol
CID 102137500
(2S)-2-(methylamino)-1-phenylcyclopentan-1-ol
CID 70572348
N-[(1S,2R)-2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]-2-methylpropane-2-sulfinamide
CID 101492060
N-[2-hydroxy-2-(4-methoxyphenyl)cyclohexyl]propane-2-sulfonamide
CID 22476563
1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55521341
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
[1-(4-bromophenyl)-2-(ethylamino)cyclopentyl]methanol
CID 154243294
N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
4-bromo-2-N-(2,2-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 79835668
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
cis-(1R,2R)-2-bromo-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 134892462
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol (CID 102137510) is trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol is CN(C)N[C@H]1CCCC[C@]1(O)c1ccc(Br)cc1.
What is the InChIKey of trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol?
The InChIKey is YKASLHOUFDLMNT-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17(2)16-13-5-3-4-10-14(13,18)11-6-8-12(15)9-7-11/h6-9,13,16,18H,3-5,10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol?
trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol has a molecular weight of 313.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)cyclohexan-1-ol is sourced from PubChem (CID 102137510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).