7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline

C14H20FN — CID 86959190

IUPAC7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(C)CN1CCc2ccc(F)cc2C1C
InChIInChI=1S/C14H20FN/c1-10(2)9-16-7-6-12-4-5-13(15)8-14(12)11(16)3/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyNAUDRZHICGUTKF-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.40
Rot. Bonds2

About 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline

7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 86959190) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
PubChem CID86959190
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(C)CN1CCc2ccc(F)cc2C1C
InChIInChI=1S/C14H20FN/c1-10(2)9-16-7-6-12-4-5-13(15)8-14(12)11(16)3/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyNAUDRZHICGUTKF-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 86959144
5-cyclopropyl-3-[[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2-oxazole
CID 124756545
(2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
CID 99104966
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 86959151
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylacetamide
CID 86960313
3-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86959280
(1R)-2-[(2-ethylpyrimidin-4-yl)methyl]-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline
CID 124750999
7-fluoro-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 135111864
(2,4-difluorophenyl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954607
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone
CID 133108251
7-fluoro-1-methyl-2-[2-(2-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 86959240
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 86959173

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline (CID 86959190) is 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline is CC(C)CN1CCc2ccc(F)cc2C1C.
What is the InChIKey of 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is NAUDRZHICGUTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)9-16-7-6-12-4-5-13(15)8-14(12)11(16)3/h4-5,8,10-11H,6-7,9H2,1-3H3.
What are the key properties of 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 221.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 86959190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).