1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone

C17H24BrNO — CID 63567709

IUPAC1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
SMILESCCC1CCC(N(C)CC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H24BrNO/c1-3-13-4-10-16(11-5-13)19(2)12-17(20)14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyOSFOPWWBZAXFQW-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.53
Rot. Bonds5

About 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone

1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone (PubChem CID 63567709) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
PubChem CID63567709
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
SMILESCCC1CCC(N(C)CC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H24BrNO/c1-3-13-4-10-16(11-5-13)19(2)12-17(20)14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyOSFOPWWBZAXFQW-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63565926
1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
CID 62612491
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
1-(4-bromophenyl)-2-[1-cyclopropylethyl(methyl)amino]ethanone
CID 43796654
1-(4-bromophenyl)-4-[cyclopropyl(cyclopropylmethyl)amino]butan-1-one
CID 64522575
1-(4-bromophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]butan-1-one
CID 43229281
1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 62031890

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone (CID 63567709) is 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone is CCC1CCC(N(C)CC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The InChIKey is OSFOPWWBZAXFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-13-4-10-16(11-5-13)19(2)12-17(20)14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone has a molecular weight of 338.29 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone is sourced from PubChem (CID 63567709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).