4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one

C15H20BrNO — CID 116911253

IUPAC4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)C(c1cccc(Br)c1)C1CCC(=O)CC1
InChIInChI=1S/C15H20BrNO/c1-17(2)15(11-6-8-14(18)9-7-11)12-4-3-5-13(16)10-12/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyLUENFJSCMIJEPY-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.81
Rot. Bonds3

About 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one

4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one (PubChem CID 116911253) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one
PubChem CID116911253
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one
SMILESCN(C)C(c1cccc(Br)c1)C1CCC(=O)CC1
InChIInChI=1S/C15H20BrNO/c1-17(2)15(11-6-8-14(18)9-7-11)12-4-3-5-13(16)10-12/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyLUENFJSCMIJEPY-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
CID 116906440
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CID 1274356
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
3-[(3-bromophenyl)-(dimethylamino)methyl]benzoic acid
CID 116908426
4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol
CID 116911196
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914390
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate
CID 116857430
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
CID 116911764

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one?
The IUPAC name of 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one (CID 116911253) is 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one is CN(C)C(c1cccc(Br)c1)C1CCC(=O)CC1.
What is the InChIKey of 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one?
The InChIKey is LUENFJSCMIJEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-17(2)15(11-6-8-14(18)9-7-11)12-4-3-5-13(16)10-12/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one?
4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one has a molecular weight of 310.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 116911253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).