N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

C14H19F3N2 — CID 103142297

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCC(C)N(CC(F)(F)F)c1cccc2c1CNCC2
InChIInChI=1S/C14H19F3N2/c1-10(2)19(9-14(15,16)17)13-5-3-4-11-6-7-18-8-12(11)13/h3-5,10,18H,6-9H2,1-2H3
InChIKeyVBSJZMVJNLHUIQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.11
Rot. Bonds3

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 103142297) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID103142297
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCC(C)N(CC(F)(F)F)c1cccc2c1CNCC2
InChIInChI=1S/C14H19F3N2/c1-10(2)19(9-14(15,16)17)13-5-3-4-11-6-7-18-8-12(11)13/h3-5,10,18H,6-9H2,1-2H3
InChIKeyVBSJZMVJNLHUIQ-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142185
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104557449
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223294
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582888
8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline
CID 23336540
N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142527
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 78940775
[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol
CID 55010201
2-(bromomethyl)-3-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 107082257
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142429
8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 103142297) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is CC(C)N(CC(F)(F)F)c1cccc2c1CNCC2.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is VBSJZMVJNLHUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10(2)19(9-14(15,16)17)13-5-3-4-11-6-7-18-8-12(11)13/h3-5,10,18H,6-9H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 272.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 103142297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).