1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one

C14H18BrNO — CID 62612491

IUPAC1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccc(Br)cc1)CC1CC1
InChIInChI=1S/C14H18BrNO/c1-16(10-11-2-3-11)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3
InChIKeyXIPGDMIYGUUGQG-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one

1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one (PubChem CID 62612491) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
PubChem CID62612491
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccc(Br)cc1)CC1CC1
InChIInChI=1S/C14H18BrNO/c1-16(10-11-2-3-11)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3
InChIKeyXIPGDMIYGUUGQG-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-(4-bromophenyl)-4-[methyl(oxan-4-ylmethyl)amino]butan-1-one
CID 63711732
1-(4-bromophenyl)-3-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63712506
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393
1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
CID 62862239
1-(4-bromophenyl)-4-[cyclopropyl(cyclopropylmethyl)amino]butan-1-one
CID 64522575
1-(4-bromophenyl)-4-[methyl(oxan-2-ylmethyl)amino]butan-1-one
CID 61432303
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one
CID 62630543
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63483558
1-(4-bromophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]butan-1-one
CID 43229281
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
CID 65488620
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one (CID 62612491) is 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one is CN(CCC(=O)c1ccc(Br)cc1)CC1CC1.
What is the InChIKey of 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one?
The InChIKey is XIPGDMIYGUUGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-16(10-11-2-3-11)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one?
1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one 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-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 62612491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).