2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one

C17H20N2O — CID 43228048

IUPAC2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N(C)CCc1ccccn1
InChIInChI=1S/C17H20N2O/c1-14(17(20)15-8-4-3-5-9-15)19(2)13-11-16-10-6-7-12-18-16/h3-10,12,14H,11,13H2,1-2H3
InChIKeyYVMCZZHMEXVYOT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.83
Rot. Bonds6

About 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one

2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one (PubChem CID 43228048) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
PubChem CID43228048
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N(C)CCc1ccccn1
InChIInChI=1S/C17H20N2O/c1-14(17(20)15-8-4-3-5-9-15)19(2)13-11-16-10-6-7-12-18-16/h3-10,12,14H,11,13H2,1-2H3
InChIKeyYVMCZZHMEXVYOT-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid
CID 63069614
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-(2-chloro-3-pyridinyl)-2-[methyl(2-pyridin-2-ylethyl)amino]propanamide
CID 75402133
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one (CID 43228048) is 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N(C)CCc1ccccn1.
What is the InChIKey of 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one?
The InChIKey is YVMCZZHMEXVYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14(17(20)15-8-4-3-5-9-15)19(2)13-11-16-10-6-7-12-18-16/h3-10,12,14H,11,13H2,1-2H3.
What are the key properties of 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one?
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 43228048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).