2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H25F3N2 — CID 62568110

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCCC2CCCCC21
InChIInChI=1S/C14H25F3N2/c1-11(9-18-10-14(15,16)17)19-8-4-6-12-5-2-3-7-13(12)19/h11-13,18H,2-10H2,1H3
InChIKeyFDADSYCZZUYAJJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds4

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62568110) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62568110
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCCC2CCCCC21
InChIInChI=1S/C14H25F3N2/c1-11(9-18-10-14(15,16)17)19-8-4-6-12-5-2-3-7-13(12)19/h11-13,18H,2-10H2,1H3
InChIKeyFDADSYCZZUYAJJ-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62568110) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is FDADSYCZZUYAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-11(9-18-10-14(15,16)17)19-8-4-6-12-5-2-3-7-13(12)19/h11-13,18H,2-10H2,1H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62568110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).