[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C18H20ClFN2O — CID 82584160

IUPAC[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCOc1ccc(F)cc1C1CN(C)C(CN)c2cccc(Cl)c21
InChIInChI=1S/C18H20ClFN2O/c1-22-10-14(13-8-11(20)6-7-17(13)23-2)18-12(16(22)9-21)4-3-5-15(18)19/h3-8,14,16H,9-10,21H2,1-2H3
InChIKeyCVCDVBCRJUAALQ-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.56
Rot. Bonds3

About [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82584160) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82584160
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCOc1ccc(F)cc1C1CN(C)C(CN)c2cccc(Cl)c21
InChIInChI=1S/C18H20ClFN2O/c1-22-10-14(13-8-11(20)6-7-17(13)23-2)18-12(16(22)9-21)4-3-5-15(18)19/h3-8,14,16H,9-10,21H2,1-2H3
InChIKeyCVCDVBCRJUAALQ-UHFFFAOYSA-N
XLogP3.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine with MolForge

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Related Compounds

[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584140
[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583930
[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583874
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
CID 140530635
1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one
CID 116978550
(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948265
(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82394731
[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117425636
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
[7-tert-butyl-4-(3-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584026
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
CID 168659664

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82584160) is [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is COc1ccc(F)cc1C1CN(C)C(CN)c2cccc(Cl)c21.
What is the InChIKey of [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is CVCDVBCRJUAALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-22-10-14(13-8-11(20)6-7-17(13)23-2)18-12(16(22)9-21)4-3-5-15(18)19/h3-8,14,16H,9-10,21H2,1-2H3.
What are the key properties of [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 334.82 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82584160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).