1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine

C12H17FN2O — CID 102879115

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
SMILESCOc1ccc(CN2CC(C)(N)C2)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-12(14)7-15(8-12)6-9-3-4-10(16-2)5-11(9)13/h3-5H,6-8,14H2,1-2H3
InChIKeyNYJXNZNBUFQBLH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.37
Rot. Bonds3

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine

1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine (PubChem CID 102879115) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
PubChem CID102879115
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
SMILESCOc1ccc(CN2CC(C)(N)C2)c(F)c1
InChIInChI=1S/C12H17FN2O/c1-12(14)7-15(8-12)6-9-3-4-10(16-2)5-11(9)13/h3-5H,6-8,14H2,1-2H3
InChIKeyNYJXNZNBUFQBLH-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076
3-amino-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324895
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 102876803
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 102876137
1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
CID 102877833
N-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102876940
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83910871
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 102877392

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine (CID 102879115) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine is COc1ccc(CN2CC(C)(N)C2)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine?
The InChIKey is NYJXNZNBUFQBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(14)7-15(8-12)6-9-3-4-10(16-2)5-11(9)13/h3-5H,6-8,14H2,1-2H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine?
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine has a molecular weight of 224.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine is sourced from PubChem (CID 102879115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).