5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

C18H23N3O — CID 77087919

IUPAC5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCOc1cccc(C2CCN2Cc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C18H23N3O/c1-20(2)18-8-7-14(12-19-18)13-21-10-9-17(21)15-5-4-6-16(11-15)22-3/h4-8,11-12,17H,9-10,13H2,1-3H3
InChIKeyLUSQRAKJRWODOP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.10
Rot. Bonds5

About 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 77087919) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID77087919
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCOc1cccc(C2CCN2Cc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C18H23N3O/c1-20(2)18-8-7-14(12-19-18)13-21-10-9-17(21)15-5-4-6-16(11-15)22-3/h4-8,11-12,17H,9-10,13H2,1-3H3
InChIKeyLUSQRAKJRWODOP-UHFFFAOYSA-N
XLogP3.10
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
CID 95869290
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
4-chloro-1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]ethyl]pyrazole
CID 91839644
4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135914872
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
2-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 91829934
1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
CID 99933692
(3S)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 95729785
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 77087919) is 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is COc1cccc(C2CCN2Cc2ccc(N(C)C)nc2)c1.
What is the InChIKey of 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is LUSQRAKJRWODOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20(2)18-8-7-14(12-19-18)13-21-10-9-17(21)15-5-4-6-16(11-15)22-3/h4-8,11-12,17H,9-10,13H2,1-3H3.
What are the key properties of 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 297.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-methoxyphenyl)azetidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 77087919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).