1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol

C12H17FN2O — CID 62943367

IUPAC1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
SMILESNCc1ccc(F)c(CN2CCC(O)C2)c1
InChIInChI=1S/C12H17FN2O/c13-12-2-1-9(6-14)5-10(12)7-15-4-3-11(16)8-15/h1-2,5,11,16H,3-4,6-8,14H2
InChIKeyWNOCPNNMFNTGBE-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.85
Rot. Bonds3

About 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol (PubChem CID 62943367) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
PubChem CID62943367
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
SMILESNCc1ccc(F)c(CN2CCC(O)C2)c1
InChIInChI=1S/C12H17FN2O/c13-12-2-1-9(6-14)5-10(12)7-15-4-3-11(16)8-15/h1-2,5,11,16H,3-4,6-8,14H2
InChIKeyWNOCPNNMFNTGBE-UHFFFAOYSA-N
XLogP0.85
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
4-fluoro-3-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 107452258
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81199439
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 43576079
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 107878368
2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol (CID 62943367) is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol is NCc1ccc(F)c(CN2CCC(O)C2)c1.
What is the InChIKey of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol?
The InChIKey is WNOCPNNMFNTGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-12-2-1-9(6-14)5-10(12)7-15-4-3-11(16)8-15/h1-2,5,11,16H,3-4,6-8,14H2.
What are the key properties of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol?
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol has a molecular weight of 224.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).