3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine

C14H19FN2O — CID 113453904

IUPAC3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
SMILESCOc1cccc(CN2CC(N)(C3CC3)C2)c1F
InChIInChI=1S/C14H19FN2O/c1-18-12-4-2-3-10(13(12)15)7-17-8-14(16,9-17)11-5-6-11/h2-4,11H,5-9,16H2,1H3
InChIKeyOQHYQFLKXKLJIG-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.76
Rot. Bonds4

About 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine

3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine (PubChem CID 113453904) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
PubChem CID113453904
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
SMILESCOc1cccc(CN2CC(N)(C3CC3)C2)c1F
InChIInChI=1S/C14H19FN2O/c1-18-12-4-2-3-10(13(12)15)7-17-8-14(16,9-17)11-5-6-11/h2-4,11H,5-9,16H2,1H3
InChIKeyOQHYQFLKXKLJIG-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453903
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine
CID 104794950
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
3-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324318
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
3-(bromomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 104794921
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104792407
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The IUPAC name of 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine (CID 113453904) is 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The canonical SMILES for 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine is COc1cccc(CN2CC(N)(C3CC3)C2)c1F.
What is the InChIKey of 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The InChIKey is OQHYQFLKXKLJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-18-12-4-2-3-10(13(12)15)7-17-8-14(16,9-17)11-5-6-11/h2-4,11H,5-9,16H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine has a molecular weight of 250.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 113453904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).