N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine

C13H19FN2 — CID 19358411

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCN(Cc1ccc(F)cc1)CC1CCNC1
InChIInChI=1S/C13H19FN2/c1-16(10-12-6-7-15-8-12)9-11-2-4-13(14)5-3-11/h2-5,12,15H,6-10H2,1H3
InChIKeyUAIIAUXPCOZKKR-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.87
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine

N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 19358411) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
PubChem CID19358411
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCN(Cc1ccc(F)cc1)CC1CCNC1
InChIInChI=1S/C13H19FN2/c1-16(10-12-6-7-15-8-12)9-11-2-4-13(14)5-3-11/h2-5,12,15H,6-10H2,1H3
InChIKeyUAIIAUXPCOZKKR-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine (CID 19358411) is N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine is CN(Cc1ccc(F)cc1)CC1CCNC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is UAIIAUXPCOZKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(10-12-6-7-15-8-12)9-11-2-4-13(14)5-3-11/h2-5,12,15H,6-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 222.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 19358411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).