N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

C15H24FN3 — CID 63289590

IUPACN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1ccc(F)cc1CN
InChIInChI=1S/C15H24FN3/c1-18(8-9-19-6-2-3-7-19)12-13-4-5-15(16)10-14(13)11-17/h4-5,10H,2-3,6-9,11-12,17H2,1H3
InChIKeyWMEZFQJQPUGLEC-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.81
Rot. Bonds6

About N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 63289590) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID63289590
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1ccc(F)cc1CN
InChIInChI=1S/C15H24FN3/c1-18(8-9-19-6-2-3-7-19)12-13-4-5-15(16)10-14(13)11-17/h4-5,10H,2-3,6-9,11-12,17H2,1H3
InChIKeyWMEZFQJQPUGLEC-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 63289209
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 64770262
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
3-fluoro-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207857
5-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]aniline
CID 79712715
ethyl 3-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]propanoate
CID 63380921
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63206874
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (CID 63289590) is N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is CN(CCN1CCCC1)Cc1ccc(F)cc1CN.
What is the InChIKey of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is WMEZFQJQPUGLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18(8-9-19-6-2-3-7-19)12-13-4-5-15(16)10-14(13)11-17/h4-5,10H,2-3,6-9,11-12,17H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 265.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 63289590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).