N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine

C17H20F2N2 — CID 107878398

IUPACN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C17H20F2N2/c1-12(15-5-3-4-6-17(15)19)21(2)11-13-7-8-16(18)14(9-13)10-20/h3-9,12H,10-11,20H2,1-2H3
InChIKeyULPVWDHTUMFRIX-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.62
Rot. Bonds5

About N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine (PubChem CID 107878398) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
PubChem CID107878398
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C17H20F2N2/c1-12(15-5-3-4-6-17(15)19)21(2)11-13-7-8-16(18)14(9-13)10-20/h3-9,12H,10-11,20H2,1-2H3
InChIKeyULPVWDHTUMFRIX-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 63457680
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985100
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
CID 60964750
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
CID 62978067
4-[[[(1R)-1-(2-fluorophenyl)ethyl]-methylamino]methyl]-1-methylpyridin-2-one
CID 94417275
[2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenyl]boronic acid
CID 62984689
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107878711
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656756
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine (CID 107878398) is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine is CC(c1ccccc1F)N(C)Cc1ccc(F)c(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is ULPVWDHTUMFRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-12(15-5-3-4-6-17(15)19)21(2)11-13-7-8-16(18)14(9-13)10-20/h3-9,12H,10-11,20H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine?
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 290.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107878398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).