1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H14F3N3 — CID 65377807

IUPAC1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)8-19-12(7-17)10-3-4-11-9(6-10)2-1-5-18-11/h1-6,12,19H,7-8,17H2
InChIKeyHZYLRYAJSCHJAH-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.39
Rot. Bonds4

About 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 65377807) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID65377807
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)8-19-12(7-17)10-3-4-11-9(6-10)2-1-5-18-11/h1-6,12,19H,7-8,17H2
InChIKeyHZYLRYAJSCHJAH-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237
1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380354
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
CID 81231447
2-quinolin-6-ylpropan-1-amine
CID 79002101
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
CID 63968287
N-ethyl-1-quinolin-6-ylbut-3-en-1-amine
CID 55181079
(2-methylsulfonyl-1-quinolin-6-ylethyl)hydrazine
CID 105327359

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 65377807) is 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCC(NCC(F)(F)F)c1ccc2ncccc2c1.
What is the InChIKey of 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HZYLRYAJSCHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)8-19-12(7-17)10-3-4-11-9(6-10)2-1-5-18-11/h1-6,12,19H,7-8,17H2.
What are the key properties of 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 269.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 65377807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).