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

C14H21FN2O — CID 104794950

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(Cc2cccc(OC)c2F)C1
InChIInChI=1S/C14H21FN2O/c1-3-7-14(16)9-17(10-14)8-11-5-4-6-12(18-2)13(11)15/h4-6H,3,7-10,16H2,1-2H3
InChIKeyDWSPXYQABCRAOL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.15
Rot. Bonds5

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

1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine (PubChem CID 104794950) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine
PubChem CID104794950
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(Cc2cccc(OC)c2F)C1
InChIInChI=1S/C14H21FN2O/c1-3-7-14(16)9-17(10-14)8-11-5-4-6-12(18-2)13(11)15/h4-6H,3,7-10,16H2,1-2H3
InChIKeyDWSPXYQABCRAOL-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453903
3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453904
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
3-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324318
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
1-[(2-fluoro-3-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161826
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylpiperidine-4-carbothioamide
CID 104792164
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylpiperidine-4-carbonitrile
CID 104792132
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine
CID 104795217

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine (CID 104794950) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine is CCCC1(N)CN(Cc2cccc(OC)c2F)C1.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine?
The InChIKey is DWSPXYQABCRAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-7-14(16)9-17(10-14)8-11-5-4-6-12(18-2)13(11)15/h4-6H,3,7-10,16H2,1-2H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine?
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine is sourced from PubChem (CID 104794950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).