1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one

C17H18FNO — CID 62051935

IUPAC1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
SMILESCN(CC(=O)Cc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C17H18FNO/c1-19(12-14-7-3-2-4-8-14)13-16(20)11-15-9-5-6-10-17(15)18/h2-10H,11-13H2,1H3
InChIKeyBXLIVDSBHFDRGH-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.07
Rot. Bonds6

About 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one

1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one (PubChem CID 62051935) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
PubChem CID62051935
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
SMILESCN(CC(=O)Cc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C17H18FNO/c1-19(12-14-7-3-2-4-8-14)13-16(20)11-15-9-5-6-10-17(15)18/h2-10H,11-13H2,1H3
InChIKeyBXLIVDSBHFDRGH-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
N-ethyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62036688
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
N-cyclopropyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62035342
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one (CID 62051935) is 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one is CN(CC(=O)Cc1ccccc1F)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one?
The InChIKey is BXLIVDSBHFDRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19(12-14-7-3-2-4-8-14)13-16(20)11-15-9-5-6-10-17(15)18/h2-10H,11-13H2,1H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one?
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one has a molecular weight of 271.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 62051935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).