[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol

C15H22BrNO — CID 64735169

IUPAC[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol
SMILESCC1CC(C)CC(CO)(Nc2ccccc2Br)C1
InChIInChI=1S/C15H22BrNO/c1-11-7-12(2)9-15(8-11,10-18)17-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3
InChIKeyHGDVABBMIKXXCA-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.05
Rot. Bonds3

About [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol

[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol (PubChem CID 64735169) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol
PubChem CID64735169
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol
SMILESCC1CC(C)CC(CO)(Nc2ccccc2Br)C1
InChIInChI=1S/C15H22BrNO/c1-11-7-12(2)9-15(8-11,10-18)17-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3
InChIKeyHGDVABBMIKXXCA-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline
CID 65383001
[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61047647
[1-(2-bromoanilino)-3-ethylcyclopentyl]methanol
CID 64514078
[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol
CID 107430203
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide
CID 64750715
ethyl 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64752668
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carbonitrile
CID 64751479
[1-(3-bromoanilino)-3,5-dimethylcyclohexyl]methanol
CID 64735363
[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
CID 65090775
ethyl 1-(2-bromoanilino)-3-methylcyclobutane-1-carboxylate
CID 103563478
[1-(4-amino-2-bromoanilino)-3-methylcyclohexyl]methanol
CID 62550934
[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol
CID 61049933

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol?
The IUPAC name of [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol (CID 64735169) is [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol?
The canonical SMILES for [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol is CC1CC(C)CC(CO)(Nc2ccccc2Br)C1.
What is the InChIKey of [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol?
The InChIKey is HGDVABBMIKXXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-7-12(2)9-15(8-11,10-18)17-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3.
What are the key properties of [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol?
[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol has a molecular weight of 312.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol is sourced from PubChem (CID 64735169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).