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

C13H12F3N3 — CID 63765889

IUPACN-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESNCc1ccccc1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)10-5-6-12(18-8-10)19-11-4-2-1-3-9(11)7-17/h1-6,8H,7,17H2,(H,18,19)
InChIKeyMPAIGQIXBGOLNC-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.30
Rot. Bonds3

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

N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 63765889) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID63765889
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC NameN-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESNCc1ccccc1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)10-5-6-12(18-8-10)19-11-4-2-1-3-9(11)7-17/h1-6,8H,7,17H2,(H,18,19)
InChIKeyMPAIGQIXBGOLNC-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
2-(Benzylamino)pyridine
CID 23362
N-2-Pyridylaniline
CID 81130
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
Pyridine, 2-benzylamino-, hydrochloride
CID 2830234
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine (CID 63765889) is N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine is NCc1ccccc1Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MPAIGQIXBGOLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)10-5-6-12(18-8-10)19-11-4-2-1-3-9(11)7-17/h1-6,8H,7,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63765889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).