1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol

C16H24BrNO — CID 79870628

IUPAC1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
SMILESCC1(C)CCCCC1NCC(O)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-16(2)9-4-3-8-15(16)18-11-14(19)12-6-5-7-13(17)10-12/h5-7,10,14-15,18-19H,3-4,8-9,11H2,1-2H3
InChIKeyQGPXVDBQVODSLB-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.04
Rot. Bonds4

About 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol

1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol (PubChem CID 79870628) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
PubChem CID79870628
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
SMILESCC1(C)CCCCC1NCC(O)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-16(2)9-4-3-8-15(16)18-11-14(19)12-6-5-7-13(17)10-12/h5-7,10,14-15,18-19H,3-4,8-9,11H2,1-2H3
InChIKeyQGPXVDBQVODSLB-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79860860
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
1-(3-bromophenyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethanol
CID 65470485
2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79856738
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-[1-(3-bromophenyl)-2-(cyclohexylamino)ethyl]cyclohexan-1-ol;hydrochloride
CID 11596858
1-[[[2-(3-bromophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116445
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol (CID 79870628) is 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol is CC1(C)CCCCC1NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol?
The InChIKey is QGPXVDBQVODSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2)9-4-3-8-15(16)18-11-14(19)12-6-5-7-13(17)10-12/h5-7,10,14-15,18-19H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol?
1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol has a molecular weight of 326.28 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 79870628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).