1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

C16H24BrNO — CID 14183742

IUPAC1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1
InChIInChI=1S/C16H24BrNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3
InChIKeyJTDRMEWIAHOIGB-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.79
Rot. Bonds4

About 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol (PubChem CID 14183742) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
PubChem CID14183742
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1
InChIInChI=1S/C16H24BrNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3
InChIKeyJTDRMEWIAHOIGB-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol (CID 14183742) is 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol is CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1.
What is the InChIKey of 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The InChIKey is JTDRMEWIAHOIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[1-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
1-[1-(4-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-(4-bromophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 14183742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).