N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine

C15H16F3N3 — CID 66331013

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)ccn1)c1ccc(CN)cc1
InChIInChI=1S/C15H16F3N3/c1-10(12-4-2-11(9-19)3-5-12)21-14-8-13(6-7-20-14)15(16,17)18/h2-8,10H,9,19H2,1H3,(H,20,21)
InChIKeyUBSHUVSWOJNHAK-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.73
Rot. Bonds4

About N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine

N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66331013) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66331013
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)ccn1)c1ccc(CN)cc1
InChIInChI=1S/C15H16F3N3/c1-10(12-4-2-11(9-19)3-5-12)21-14-8-13(6-7-20-14)15(16,17)18/h2-8,10H,9,19H2,1H3,(H,20,21)
InChIKeyUBSHUVSWOJNHAK-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331036
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330449
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61242084
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66328057
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 66328480
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 66331013) is N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine is CC(Nc1cc(C(F)(F)F)ccn1)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UBSHUVSWOJNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10(12-4-2-11(9-19)3-5-12)21-14-8-13(6-7-20-14)15(16,17)18/h2-8,10H,9,19H2,1H3,(H,20,21).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66331013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).