6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline

C13H18FN — CID 135177655

IUPAC6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC(C)C1c2ccc(F)cc2CCN1C
InChIInChI=1S/C13H18FN/c1-9(2)13-12-5-4-11(14)8-10(12)6-7-15(13)3/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyXIVRBHICIWULCB-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.01
Rot. Bonds1

About 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline

6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 135177655) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID135177655
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC(C)C1c2ccc(F)cc2CCN1C
InChIInChI=1S/C13H18FN/c1-9(2)13-12-5-4-11(14)8-10(12)6-7-15(13)3/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyXIVRBHICIWULCB-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 70259591
1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene
CID 116532446
2-[4-(6-fluoro-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-1-phenylethanone
CID 53494644
(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 19686
1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 105460928
2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-3-methylbutan-1-amine
CID 116995732
(6-fluoro-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone;oxalic acid
CID 53492790
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105461963
2-amino-2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanol
CID 116995713
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115718703
(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine
CID 142337194

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 135177655) is 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline is CC(C)C1c2ccc(F)cc2CCN1C.
What is the InChIKey of 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XIVRBHICIWULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)13-12-5-4-11(14)8-10(12)6-7-15(13)3/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline?
6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 207.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 135177655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).