1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone

C14H18BrNO — CID 63954800

IUPAC1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccccc1Br)CC1CC1
InChIInChI=1S/C14H18BrNO/c1-2-16(9-11-7-8-11)10-14(17)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3
InChIKeyDOXUFFSVRJRUCF-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.36
Rot. Bonds6

About 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone

1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone (PubChem CID 63954800) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
PubChem CID63954800
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccccc1Br)CC1CC1
InChIInChI=1S/C14H18BrNO/c1-2-16(9-11-7-8-11)10-14(17)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3
InChIKeyDOXUFFSVRJRUCF-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984093
1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
CID 102995150
1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
CID 79390464
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 63956842
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 107399788
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone
CID 106203157
2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide
CID 62035769

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone (CID 63954800) is 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone is CCN(CC(=O)c1ccccc1Br)CC1CC1.
What is the InChIKey of 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone?
The InChIKey is DOXUFFSVRJRUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-16(9-11-7-8-11)10-14(17)12-5-3-4-6-13(12)15/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone?
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone has a molecular weight of 296.21 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone is sourced from PubChem (CID 63954800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).