4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline

C16H19FN2O — CID 115366747

IUPAC4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccccc1CN(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-19(11-13-5-3-4-6-16(13)20-2)14-8-7-12(10-18)15(17)9-14/h3-9H,10-11,18H2,1-2H3
InChIKeyIAWRKBWYPAMOID-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.93
Rot. Bonds5

About 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline

4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline (PubChem CID 115366747) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
PubChem CID115366747
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccccc1CN(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-19(11-13-5-3-4-6-16(13)20-2)14-8-7-12(10-18)15(17)9-14/h3-9H,10-11,18H2,1-2H3
InChIKeyIAWRKBWYPAMOID-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
2-amino-5-[(2-methoxyphenyl)methyl-methylamino]benzonitrile
CID 115499202
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 115366742
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
4-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 61418085
[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol
CID 106529749
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 113295432
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
CID 113295412
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 114925953

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline (CID 115366747) is 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline is COc1ccccc1CN(C)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline?
The InChIKey is IAWRKBWYPAMOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(11-13-5-3-4-6-16(13)20-2)14-8-7-12(10-18)15(17)9-14/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline?
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline has a molecular weight of 274.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 115366747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).