N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine

C15H21F3N2 — CID 104557449

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1cccc2c1CCNC2)CC(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-11(2)20(10-15(16,17)18)9-13-5-3-4-12-8-19-7-6-14(12)13/h3-5,11,19H,6-10H2,1-2H3
InChIKeyFTHAVUOVLLSSTF-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.11
Rot. Bonds4

About N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine

N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 104557449) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID104557449
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1cccc2c1CCNC2)CC(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-11(2)20(10-15(16,17)18)9-13-5-3-4-12-8-19-7-6-14(12)13/h3-5,11,19H,6-10H2,1-2H3
InChIKeyFTHAVUOVLLSSTF-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557368
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethane-1,2-diamine
CID 104557446
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142297
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981726
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentanamine
CID 104557605
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557620
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
CID 104557392

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 104557449) is N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(Cc1cccc2c1CCNC2)CC(F)(F)F.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is FTHAVUOVLLSSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(2)20(10-15(16,17)18)9-13-5-3-4-12-8-19-7-6-14(12)13/h3-5,11,19H,6-10H2,1-2H3.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 286.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 104557449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).