4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine

C15H18F3N3 — CID 62286362

IUPAC4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine
SMILESCCCN(CC(F)(F)F)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C15H18F3N3/c1-2-7-21(10-15(16,17)18)14-8-11(9-19)12-5-3-4-6-13(12)20-14/h3-6,8H,2,7,9-10,19H2,1H3
InChIKeyDQNCZHMCZABOJB-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.47
Rot. Bonds5

About 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine

4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine (PubChem CID 62286362) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine
PubChem CID62286362
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine
SMILESCCCN(CC(F)(F)F)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C15H18F3N3/c1-2-7-21(10-15(16,17)18)14-8-11(9-19)12-5-3-4-6-13(12)20-14/h3-6,8H,2,7,9-10,19H2,1H3
InChIKeyDQNCZHMCZABOJB-UHFFFAOYSA-N
XLogP3.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N,N-diethylquinolin-2-amine
CID 62299448
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858
4-(aminomethyl)-N-cyclopropyl-N-propylquinolin-2-amine
CID 62299647
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylquinolin-2-amine
CID 107397272
N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine
CID 62279533
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
CID 62285875
2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol
CID 62285005
4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 107274847
3-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-amine
CID 63785003
2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478493
6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine
CID 79825411

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine (CID 62286362) is 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine is CCCN(CC(F)(F)F)c1cc(CN)c2ccccc2n1.
What is the InChIKey of 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine?
The InChIKey is DQNCZHMCZABOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-2-7-21(10-15(16,17)18)14-8-11(9-19)12-5-3-4-6-13(12)20-14/h3-6,8H,2,7,9-10,19H2,1H3.
What are the key properties of 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine?
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine has a molecular weight of 297.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)quinolin-2-amine is sourced from PubChem (CID 62286362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).