1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

C16H24BrNO — CID 14739954

IUPAC1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1ccccc1Br)C1(O)CCCCC1
InChIInChI=1S/C16H24BrNO/c1-18(2)12-14(13-8-4-5-9-15(13)17)16(19)10-6-3-7-11-16/h4-5,8-9,14,19H,3,6-7,10-12H2,1-2H3
InChIKeyRXLTXBKNARFTEK-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.79
Rot. Bonds4

About 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol (PubChem CID 14739954) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
PubChem CID14739954
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1ccccc1Br)C1(O)CCCCC1
InChIInChI=1S/C16H24BrNO/c1-18(2)12-14(13-8-4-5-9-15(13)17)16(19)10-6-3-7-11-16/h4-5,8-9,14,19H,3,6-7,10-12H2,1-2H3
InChIKeyRXLTXBKNARFTEK-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 12549086
1-[1-(Phenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520306
1-[1-(3-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclohexanol (HCl)
CID 13520313
1-[1-(4-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclobutanol (HCl)
CID 13520334
1-[1-(4-Bromophenyl)-2-(dimethylamino)ethyl]cyclohexanol
CID 14183742
1-(2-Dimethylamino-1-p-tolyl-ethyl)-cyclohexanol (HCl)
CID 14739944
1-(Dimethylamino)-3-methyl-2-phenylpentan-3-ol
CID 214385
1,1-Bis(3-bromophenyl)-3-(diethylamino)-2-methylpropan-1-ol--hydrogen chloride (1/1)
CID 3060424
1,1-Bis(4-bromophenyl)-3-(diethylamino)-2-methylpropan-1-ol--hydrogen chloride (1/1)
CID 3060426
1-[2-(Dimethylamino)-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
CID 46700768
1-[2-(Dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol
CID 135070752
1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol
CID 92846014

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol (CID 14739954) is 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol is CN(C)CC(c1ccccc1Br)C1(O)CCCCC1.
What is the InChIKey of 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The InChIKey is RXLTXBKNARFTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18(2)12-14(13-8-4-5-9-15(13)17)16(19)10-6-3-7-11-16/h4-5,8-9,14,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 14739954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).