1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone

C14H18BrNO — CID 55256902

IUPAC1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
SMILESCC1CC1CN(C)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10-6-12(10)8-16(2)9-14(17)11-4-3-5-13(15)7-11/h3-5,7,10,12H,6,8-9H2,1-2H3
InChIKeyLQTDMCRXBQLVHN-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.22
Rot. Bonds5

About 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone

1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone (PubChem CID 55256902) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
PubChem CID55256902
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
SMILESCC1CC1CN(C)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10-6-12(10)8-16(2)9-14(17)11-4-3-5-13(15)7-11/h3-5,7,10,12H,6,8-9H2,1-2H3
InChIKeyLQTDMCRXBQLVHN-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone 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-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865706
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
1-(3-bromo-4-methoxyphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865178
1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319803
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227315
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 63866776
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(2-methylphenyl)ethanone
CID 63865538
1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632948
1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 62031890

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone (CID 55256902) is 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone is CC1CC1CN(C)CC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone?
The InChIKey is LQTDMCRXBQLVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-6-12(10)8-16(2)9-14(17)11-4-3-5-13(15)7-11/h3-5,7,10,12H,6,8-9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone?
1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone has a molecular weight of 296.21 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone is sourced from PubChem (CID 55256902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).