[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C17H18F2N2 — CID 82583874

IUPAC[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCN1CC(c2ccc(F)c(F)c2)c2ccccc2C1CN
InChIInChI=1S/C17H18F2N2/c1-21-10-14(11-6-7-15(18)16(19)8-11)12-4-2-3-5-13(12)17(21)9-20/h2-8,14,17H,9-10,20H2,1H3
InChIKeyAFXOMEIYFJHPSB-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.04
Rot. Bonds2

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

[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82583874) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82583874
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCN1CC(c2ccc(F)c(F)c2)c2ccccc2C1CN
InChIInChI=1S/C17H18F2N2/c1-21-10-14(11-6-7-15(18)16(19)8-11)12-4-2-3-5-13(12)17(21)9-20/h2-8,14,17H,9-10,20H2,1H3
InChIKeyAFXOMEIYFJHPSB-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583894
[7-tert-butyl-4-(3-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584026
3-[1-(aminomethyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid
CID 82583980
1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68998095
(1S,3S)-3-(3,4-difluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582043
1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584740
[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583930
[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584160
[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584140
5-[[3-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-imidazole
CID 12967925
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584082

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82583874) is [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is CN1CC(c2ccc(F)c(F)c2)c2ccccc2C1CN.
What is the InChIKey of [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is AFXOMEIYFJHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-21-10-14(11-6-7-15(18)16(19)8-11)12-4-2-3-5-13(12)17(21)9-20/h2-8,14,17H,9-10,20H2,1H3.
What are the key properties of [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 288.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82583874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).