1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine

C12H17FN2 — CID 105462032

IUPAC1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CNCc2cc(F)ccc21
InChIInChI=1S/C12H17FN2/c1-15(2)8-10-7-14-6-9-5-11(13)3-4-12(9)10/h3-5,10,14H,6-8H2,1-2H3
InChIKeyMCTVDMMOHPEUGJ-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.57
Rot. Bonds2

About 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine

1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine (PubChem CID 105462032) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine
PubChem CID105462032
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CNCc2cc(F)ccc21
InChIInChI=1S/C12H17FN2/c1-15(2)8-10-7-14-6-9-5-11(13)3-4-12(9)10/h3-5,10,14H,6-8H2,1-2H3
InChIKeyMCTVDMMOHPEUGJ-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine (CID 105462032) is 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine is CN(C)CC1CNCc2cc(F)ccc21.
What is the InChIKey of 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine?
The InChIKey is MCTVDMMOHPEUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15(2)8-10-7-14-6-9-5-11(13)3-4-12(9)10/h3-5,10,14H,6-8H2,1-2H3.
What are the key properties of 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine?
1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine has a molecular weight of 208.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 105462032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).