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

C16H17FN2O — CID 62052978

IUPAC1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
SMILESCN(CC(=O)Cc1ccccc1F)Cc1cccnc1
InChIInChI=1S/C16H17FN2O/c1-19(11-13-5-4-8-18-10-13)12-15(20)9-14-6-2-3-7-16(14)17/h2-8,10H,9,11-12H2,1H3
InChIKeyRHKPZINBKBCWLT-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.46
Rot. Bonds6

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

1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one (PubChem CID 62052978) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
PubChem CID62052978
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
SMILESCN(CC(=O)Cc1ccccc1F)Cc1cccnc1
InChIInChI=1S/C16H17FN2O/c1-19(11-13-5-4-8-18-10-13)12-15(20)9-14-6-2-3-7-16(14)17/h2-8,10H,9,11-12H2,1H3
InChIKeyRHKPZINBKBCWLT-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
4-[methyl(pyridin-3-ylmethyl)amino]-3-oxobutanenitrile
CID 117038514
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 110877328
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
3-(2,5-difluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86827651
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
trifluoro-[3-[methyl(pyridin-3-ylmethyl)amino]prop-1-en-2-yl]boranuide
CID 106745744
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
[3-fluoro-2-[methyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 114067410
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one (CID 62052978) is 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one is CN(CC(=O)Cc1ccccc1F)Cc1cccnc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one?
The InChIKey is RHKPZINBKBCWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(11-13-5-4-8-18-10-13)12-15(20)9-14-6-2-3-7-16(14)17/h2-8,10H,9,11-12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one?
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one has a molecular weight of 272.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one is sourced from PubChem (CID 62052978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).