1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C15H17F3N2O — CID 103147995

IUPAC1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1ccc2cc(C(N)CCOCC(F)(F)F)ccc2n1
InChIInChI=1S/C15H17F3N2O/c1-10-2-3-12-8-11(4-5-14(12)20-10)13(19)6-7-21-9-15(16,17)18/h2-5,8,13H,6-7,9,19H2,1H3
InChIKeyDQQOPHSNBULQRC-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.51
Rot. Bonds5

About 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103147995) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103147995
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1ccc2cc(C(N)CCOCC(F)(F)F)ccc2n1
InChIInChI=1S/C15H17F3N2O/c1-10-2-3-12-8-11(4-5-14(12)20-10)13(19)6-7-21-9-15(16,17)18/h2-5,8,13H,6-7,9,19H2,1H3
InChIKeyDQQOPHSNBULQRC-UHFFFAOYSA-N
XLogP3.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172248
1-(3-bromo-4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207108
1-(2-methylquinolin-6-yl)-2-pyridin-4-ylethanamine
CID 81231601
3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172258
1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207056
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103147995) is 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1ccc2cc(C(N)CCOCC(F)(F)F)ccc2n1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is DQQOPHSNBULQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-10-2-3-12-8-11(4-5-14(12)20-10)13(19)6-7-21-9-15(16,17)18/h2-5,8,13H,6-7,9,19H2,1H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 298.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103147995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).