3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline

C16H19FN2 — CID 102813489

IUPAC3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CN(C)c1cc(F)cc(CN)c1
InChIInChI=1S/C16H19FN2/c1-12-5-3-4-6-14(12)11-19(2)16-8-13(10-18)7-15(17)9-16/h3-9H,10-11,18H2,1-2H3
InChIKeyWWVWZOWBMIHKRH-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.23
Rot. Bonds4

About 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline

3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline (PubChem CID 102813489) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
PubChem CID102813489
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CN(C)c1cc(F)cc(CN)c1
InChIInChI=1S/C16H19FN2/c1-12-5-3-4-6-14(12)11-19(2)16-8-13(10-18)7-15(17)9-16/h3-9H,10-11,18H2,1-2H3
InChIKeyWWVWZOWBMIHKRH-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 106529738
3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 106529123
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80629685
[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol
CID 106529749
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 107932729
3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 43588378
3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 60875163
4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine
CID 113367573

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline (CID 102813489) is 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline is Cc1ccccc1CN(C)c1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is WWVWZOWBMIHKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-5-3-4-6-14(12)11-19(2)16-8-13(10-18)7-15(17)9-16/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline?
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 258.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 102813489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).