N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C15H16F3N3 — CID 60922080

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccccc1CN)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H16F3N3/c1-21(10-12-5-3-2-4-11(12)8-19)14-7-6-13(9-20-14)15(16,17)18/h2-7,9H,8,10,19H2,1H3
InChIKeyIHFMOVXHKJBVGO-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.20
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60922080) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60922080
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccccc1CN)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H16F3N3/c1-21(10-12-5-3-2-4-11(12)8-19)14-7-6-13(9-20-14)15(16,17)18/h2-7,9H,8,10,19H2,1H3
InChIKeyIHFMOVXHKJBVGO-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridin-2-amine
CID 60921940
N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 79652291
N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 56789627
N-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 133276838
N-[[2-(aminomethyl)phenyl]methyl]-N,6-dimethylpyridazin-3-amine
CID 61313703
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 71977898
N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63765889
N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62585853
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylpyrazin-2-amine
CID 83063231

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 60922080) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CN(Cc1ccccc1CN)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IHFMOVXHKJBVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-21(10-12-5-3-2-4-11(12)8-19)14-7-6-13(9-20-14)15(16,17)18/h2-7,9H,8,10,19H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60922080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).