6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine

C11H17FN2 — CID 166951480

IUPAC6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine
SMILESCNC1CC2=C(C=C1F)CCN(C)C2
InChIInChI=1S/C11H17FN2/c1-13-11-6-9-7-14(2)4-3-8(9)5-10(11)12/h5,11,13H,3-4,6-7H2,1-2H3
InChIKeyPHRINWPIXQFIDY-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.46
Rot. Bonds1

About 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine

6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine (PubChem CID 166951480) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine
PubChem CID166951480
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine
SMILESCNC1CC2=C(C=C1F)CCN(C)C2
InChIInChI=1S/C11H17FN2/c1-13-11-6-9-7-14(2)4-3-8(9)5-10(11)12/h5,11,13H,3-4,6-7H2,1-2H3
InChIKeyPHRINWPIXQFIDY-UHFFFAOYSA-N
XLogP1.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
CID 54444424
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
(1R)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 89293523
(8aS)-2-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,8,8a-tetrahydroquinolin-5-amine
CID 89789162
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
(2S,8aS)-N-ethyl-2-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-N-methyl-1,2,8,8a-tetrahydroquinolin-7-amine
CID 121321850
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
(Z)-2-(5-fluoro-1,2,4-trimethyl-2H-pyridin-3-yl)-N-methylprop-1-en-1-amine
CID 129132261
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
CID 129313875
N-ethyl-1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]propan-2-amine
CID 132005049
1-(7-fluorocyclohepta-1,6-dien-1-yl)-N-propylbutan-1-amine
CID 132198554

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine?
The IUPAC name of 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine (CID 166951480) is 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine?
The canonical SMILES for 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine is CNC1CC2=C(C=C1F)CCN(C)C2.
What is the InChIKey of 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine?
The InChIKey is PHRINWPIXQFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-13-11-6-9-7-14(2)4-3-8(9)5-10(11)12/h5,11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine?
6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine has a molecular weight of 196.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 166951480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).