1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one

C16H17BrN2O — CID 62611657

IUPAC1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccc(Br)cc1)Cc1ccccn1
InChIInChI=1S/C16H17BrN2O/c1-19(12-15-4-2-3-10-18-15)11-9-16(20)13-5-7-14(17)8-6-13/h2-8,10H,9,11-12H2,1H3
InChIKeyRQEMCWNORUWWAL-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.55
Rot. Bonds6

About 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one

1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one (PubChem CID 62611657) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
PubChem CID62611657
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccc(Br)cc1)Cc1ccccn1
InChIInChI=1S/C16H17BrN2O/c1-19(12-15-4-2-3-10-18-15)11-9-16(20)13-5-7-14(17)8-6-13/h2-8,10H,9,11-12H2,1H3
InChIKeyRQEMCWNORUWWAL-UHFFFAOYSA-N
XLogP3.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62050830
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CID 60712627
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
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N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one (CID 62611657) is 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one is CN(CCC(=O)c1ccc(Br)cc1)Cc1ccccn1.
What is the InChIKey of 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one?
The InChIKey is RQEMCWNORUWWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-19(12-15-4-2-3-10-18-15)11-9-16(20)13-5-7-14(17)8-6-13/h2-8,10H,9,11-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one?
1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one has a molecular weight of 333.23 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 62611657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).