[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine

C14H21FN2O — CID 64570029

IUPAC[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
SMILESCOCC1CCN(Cc2ccc(F)cc2CN)C1
InChIInChI=1S/C14H21FN2O/c1-18-10-11-4-5-17(8-11)9-12-2-3-14(15)6-13(12)7-16/h2-3,6,11H,4-5,7-10,16H2,1H3
InChIKeyWWBRNBVGBXZONM-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.75
Rot. Bonds5

About [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine

[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine (PubChem CID 64570029) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
PubChem CID64570029
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
SMILESCOCC1CCN(Cc2ccc(F)cc2CN)C1
InChIInChI=1S/C14H21FN2O/c1-18-10-11-4-5-17(8-11)9-12-2-3-14(15)6-13(12)7-16/h2-3,6,11H,4-5,7-10,16H2,1H3
InChIKeyWWBRNBVGBXZONM-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
4-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107907966
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
5-fluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 76997460
3-fluoro-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 112646194
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine
CID 64581199
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine (CID 64570029) is [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine is COCC1CCN(Cc2ccc(F)cc2CN)C1.
What is the InChIKey of [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine?
The InChIKey is WWBRNBVGBXZONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-10-11-4-5-17(8-11)9-12-2-3-14(15)6-13(12)7-16/h2-3,6,11H,4-5,7-10,16H2,1H3.
What are the key properties of [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine?
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 64570029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).