4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol

C15H22BrNO — CID 116911196

IUPAC4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)C(c1ccc(Br)cc1)C1CCC(O)CC1
InChIInChI=1S/C15H22BrNO/c1-17(2)15(11-3-7-13(16)8-4-11)12-5-9-14(18)10-6-12/h3-4,7-8,12,14-15,18H,5-6,9-10H2,1-2H3
InChIKeyHFRQCIGNOYSKKF-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.60
Rot. Bonds3

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

4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 116911196) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID116911196
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)C(c1ccc(Br)cc1)C1CCC(O)CC1
InChIInChI=1S/C15H22BrNO/c1-17(2)15(11-3-7-13(16)8-4-11)12-5-9-14(18)10-6-12/h3-4,7-8,12,14-15,18H,5-6,9-10H2,1-2H3
InChIKeyHFRQCIGNOYSKKF-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
CID 116906547
4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol
CID 116911216
4-[cyclohexyl(dimethylamino)methyl]benzoic acid
CID 116908454
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
(NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine
CID 24739573
(NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine
CID 87368985
4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one
CID 116911253
3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol
CID 24740218
1-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-N-ethylethanamine
CID 141181380
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide
CID 91050343
1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 131723349
4-[amino-(4-methylphenyl)methyl]cyclohexan-1-ol
CID 116941804

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol (CID 116911196) is 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol is CN(C)C(c1ccc(Br)cc1)C1CCC(O)CC1.
What is the InChIKey of 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is HFRQCIGNOYSKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-17(2)15(11-3-7-13(16)8-4-11)12-5-9-14(18)10-6-12/h3-4,7-8,12,14-15,18H,5-6,9-10H2,1-2H3.
What are the key properties of 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol?
4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116911196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).