[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine

C14H21FN2O — CID 104792901

IUPAC[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cccc(CN2CC(CN)CC2C)c1F
InChIInChI=1S/C14H21FN2O/c1-10-6-11(7-16)8-17(10)9-12-4-3-5-13(18-2)14(12)15/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyLTISLTRJKQTODH-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.00
Rot. Bonds4

About [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 104792901) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID104792901
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cccc(CN2CC(CN)CC2C)c1F
InChIInChI=1S/C14H21FN2O/c1-10-6-11(7-16)8-17(10)9-12-4-3-5-13(18-2)14(12)15/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyLTISLTRJKQTODH-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine 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

1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 115486469
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120842955
[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486413
[5-methyl-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 115486068
[1-[(2,6-difluoro-3-iodophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120843011
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
1-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104792772
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine (CID 104792901) is [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine is COc1cccc(CN2CC(CN)CC2C)c1F.
What is the InChIKey of [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is LTISLTRJKQTODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-6-11(7-16)8-17(10)9-12-4-3-5-13(18-2)14(12)15/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of [1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 2.00, 4 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]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 104792901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).