5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline

C16H18N2 — CID 62911258

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline
SMILESCc1ccc(N2CCc3ccccc3C2)cc1N
InChIInChI=1S/C16H18N2/c1-12-6-7-15(10-16(12)17)18-9-8-13-4-2-3-5-14(13)11-18/h2-7,10H,8-9,11,17H2,1H3
InChIKeyFJLHCEFNLCADRK-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.14
Rot. Bonds1

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline

5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline (PubChem CID 62911258) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline
PubChem CID62911258
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline
SMILESCc1ccc(N2CCc3ccccc3C2)cc1N
InChIInChI=1S/C16H18N2/c1-12-6-7-15(10-16(12)17)18-9-8-13-4-2-3-5-14(13)11-18/h2-7,10H,8-9,11,17H2,1H3
InChIKeyFJLHCEFNLCADRK-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylaniline
CID 53410190
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)aniline
CID 28510065
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbenzenecarboximidamide
CID 81278399
4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine
CID 106750709
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
CID 90680235
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylaniline
CID 110454622
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridin-3-amine
CID 62476681
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-fluorobenzenecarbothioamide
CID 115367814
[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol
CID 63152797

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline (CID 62911258) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline is Cc1ccc(N2CCc3ccccc3C2)cc1N.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline?
The InChIKey is FJLHCEFNLCADRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-6-7-15(10-16(12)17)18-9-8-13-4-2-3-5-14(13)11-18/h2-7,10H,8-9,11,17H2,1H3.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline has a molecular weight of 238.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline is sourced from PubChem (CID 62911258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).