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

[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60922080
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524
N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548068
2-N-(2-benzylphenyl)pyridine-2,5-diamine
CID 29067045
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 175707097
3-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
CID 169204837
[2-(2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105284705
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60869456
N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143320872

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).