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

C15H20BrNO — CID 62862239

IUPAC1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(Br)c1)CC1CCC1
InChIInChI=1S/C15H20BrNO/c1-17(11-12-4-2-5-12)9-8-15(18)13-6-3-7-14(16)10-13/h3,6-7,10,12H,2,4-5,8-9,11H2,1H3
InChIKeyBSYXGXRMSIQLPL-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.75
Rot. Bonds6

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

1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one (PubChem CID 62862239) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
PubChem CID62862239
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(Br)c1)CC1CCC1
InChIInChI=1S/C15H20BrNO/c1-17(11-12-4-2-5-12)9-8-15(18)13-6-3-7-14(16)10-13/h3,6-7,10,12H,2,4-5,8-9,11H2,1H3
InChIKeyBSYXGXRMSIQLPL-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one (CID 62862239) is 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one is CN(CCC(=O)c1cccc(Br)c1)CC1CCC1.
What is the InChIKey of 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one?
The InChIKey is BSYXGXRMSIQLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-17(11-12-4-2-5-12)9-8-15(18)13-6-3-7-14(16)10-13/h3,6-7,10,12H,2,4-5,8-9,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one?
1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one has a molecular weight of 310.23 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[cyclobutylmethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 62862239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).