1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one

C18H26BrNO — CID 63566108

IUPAC1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
SMILESCCC1CCC(N(C)C(C)C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H26BrNO/c1-4-14-5-11-17(12-6-14)20(3)13(2)18(21)15-7-9-16(19)10-8-15/h7-10,13-14,17H,4-6,11-12H2,1-3H3
InChIKeyQKVMDJGFOPIPQG-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.92
Rot. Bonds5

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

1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one (PubChem CID 63566108) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
PubChem CID63566108
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
SMILESCCC1CCC(N(C)C(C)C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H26BrNO/c1-4-14-5-11-17(12-6-14)20(3)13(2)18(21)15-7-9-16(19)10-8-15/h7-10,13-14,17H,4-6,11-12H2,1-3H3
InChIKeyQKVMDJGFOPIPQG-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63567709
2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one
CID 63566462
1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
CID 63568414
1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one
CID 54946475
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 60678397
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642
1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 63568429
4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
CID 82986499
1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051971
3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
1-(4-bromophenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propan-1-one
CID 79310497

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one (CID 63566108) is 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one is CCC1CCC(N(C)C(C)C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one?
The InChIKey is QKVMDJGFOPIPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-4-14-5-11-17(12-6-14)20(3)13(2)18(21)15-7-9-16(19)10-8-15/h7-10,13-14,17H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one?
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one has a molecular weight of 352.32 g/mol, XLogP of 4.92, 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]propan-1-one is sourced from PubChem (CID 63566108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).