N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

C15H24FN3 — CID 79303970

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN(Cc1ccc(CN)cc1F)CC1CCCN1C
InChIInChI=1S/C15H24FN3/c1-18(11-14-4-3-7-19(14)2)10-13-6-5-12(9-17)8-15(13)16/h5-6,8,14H,3-4,7,9-11,17H2,1-2H3
InChIKeyJVYKOWZGCLDYON-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.81
Rot. Bonds5

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 79303970) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID79303970
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN(Cc1ccc(CN)cc1F)CC1CCCN1C
InChIInChI=1S/C15H24FN3/c1-18(11-14-4-3-7-19(14)2)10-13-6-5-12(9-17)8-15(13)16/h5-6,8,14H,3-4,7,9-11,17H2,1-2H3
InChIKeyJVYKOWZGCLDYON-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

3-fluoro-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
CID 79314064
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
N-[(2-bromo-4-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79315406
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
CID 99931195
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2R)-1-methylpiperidin-2-yl]methanamine
CID 99931196
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81117739
4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318214
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzoic acid
CID 107908033
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
CID 79304453
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
1-[1-[4-(aminomethyl)-2-fluorophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885527

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine (CID 79303970) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine is CN(Cc1ccc(CN)cc1F)CC1CCCN1C.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is JVYKOWZGCLDYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18(11-14-4-3-7-19(14)2)10-13-6-5-12(9-17)8-15(13)16/h5-6,8,14H,3-4,7,9-11,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 265.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 79303970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).