[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C18H21FN2 — CID 82584082

IUPAC[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCC1C(c2ccccc2F)c2ccccc2C(CN)N1C
InChIInChI=1S/C18H21FN2/c1-12-18(15-9-5-6-10-16(15)19)14-8-4-3-7-13(14)17(11-20)21(12)2/h3-10,12,17-18H,11,20H2,1-2H3
InChIKeyJCNZVFLCJSRRRT-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.29
Rot. Bonds2

About [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82584082) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82584082
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCC1C(c2ccccc2F)c2ccccc2C(CN)N1C
InChIInChI=1S/C18H21FN2/c1-12-18(15-9-5-6-10-16(15)19)14-8-4-3-7-13(14)17(11-20)21(12)2/h3-10,12,17-18H,11,20H2,1-2H3
InChIKeyJCNZVFLCJSRRRT-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584074
[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584078
(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584838
(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545651
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
(2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine
CID 54517292
[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583874
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
[(3R,4R)-4-(2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987229
(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545619

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82584082) is [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is CC1C(c2ccccc2F)c2ccccc2C(CN)N1C.
What is the InChIKey of [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is JCNZVFLCJSRRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12-18(15-9-5-6-10-16(15)19)14-8-4-3-7-13(14)17(11-20)21(12)2/h3-10,12,17-18H,11,20H2,1-2H3.
What are the key properties of [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82584082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).