3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one

C18H24N2O2 — CID 82518171

IUPAC3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCC(C)COc1cccc(-c2ccc(C(C)N)c(=O)n2C)c1
InChIInChI=1S/C18H24N2O2/c1-12(2)11-22-15-7-5-6-14(10-15)17-9-8-16(13(3)19)18(21)20(17)4/h5-10,12-13H,11,19H2,1-4H3
InChIKeyHRBJZXRZJJXPDZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.11
Rot. Bonds5

About 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one

3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one (PubChem CID 82518171) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
PubChem CID82518171
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCC(C)COc1cccc(-c2ccc(C(C)N)c(=O)n2C)c1
InChIInChI=1S/C18H24N2O2/c1-12(2)11-22-15-7-5-6-14(10-15)17-9-8-16(13(3)19)18(21)20(17)4/h5-10,12-13H,11,19H2,1-4H3
InChIKeyHRBJZXRZJJXPDZ-UHFFFAOYSA-N
XLogP3.11
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520127
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
(E)-3-[6-(3-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid
CID 82518392
4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
CID 82444294
2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carbonitrile
CID 82444286
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one
CID 82467070
3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189716

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one (CID 82518171) is 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one is CC(C)COc1cccc(-c2ccc(C(C)N)c(=O)n2C)c1.
What is the InChIKey of 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one?
The InChIKey is HRBJZXRZJJXPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)11-22-15-7-5-6-14(10-15)17-9-8-16(13(3)19)18(21)20(17)4/h5-10,12-13H,11,19H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one?
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 82518171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).