N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine

C15H16F3N3 — CID 66330659

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNCCc1ccc(CNc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)13-6-8-20-14(9-13)21-10-12-3-1-11(2-4-12)5-7-19/h1-4,6,8-9H,5,7,10,19H2,(H,20,21)
InChIKeyVYNDZRHEPBMFCY-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.21
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66330659) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66330659
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNCCc1ccc(CNc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)13-6-8-20-14(9-13)21-10-12-3-1-11(2-4-12)5-7-19/h1-4,6,8-9H,5,7,10,19H2,(H,20,21)
InChIKeyVYNDZRHEPBMFCY-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133359241
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 62502673
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56948135
N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328499

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 66330659) is N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine is NCCc1ccc(CNc2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VYNDZRHEPBMFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)13-6-8-20-14(9-13)21-10-12-3-1-11(2-4-12)5-7-19/h1-4,6,8-9H,5,7,10,19H2,(H,20,21).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66330659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).