N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline

C17H20N2 — CID 143613959

IUPACN-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline
SMILESCNc1ccc(-c2ccc3c(c2)CN(C)CC3)cc1
InChIInChI=1S/C17H20N2/c1-18-17-7-5-13(6-8-17)15-4-3-14-9-10-19(2)12-16(14)11-15/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyRRRUFUGJIYWBSJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.38
Rot. Bonds2

About N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline

N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline (PubChem CID 143613959) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline
PubChem CID143613959
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline
SMILESCNc1ccc(-c2ccc3c(c2)CN(C)CC3)cc1
InChIInChI=1S/C17H20N2/c1-18-17-7-5-13(6-8-17)15-4-3-14-9-10-19(2)12-16(14)11-15/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyRRRUFUGJIYWBSJ-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 170318472
7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67380705
7-(4-chloro-2-propan-2-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 172543647
2-methyl-6-(2-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline
CID 145346647
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 143924095
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
1-(3-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54022788
(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine
CID 55281459
3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 129213634
4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-N-methylaniline
CID 116983208

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline?
The IUPAC name of N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline (CID 143613959) is N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline.
What is the SMILES notation for N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline?
The canonical SMILES for N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline is CNc1ccc(-c2ccc3c(c2)CN(C)CC3)cc1.
What is the InChIKey of N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline?
The InChIKey is RRRUFUGJIYWBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-18-17-7-5-13(6-8-17)15-4-3-14-9-10-19(2)12-16(14)11-15/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline?
N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)aniline is sourced from PubChem (CID 143613959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).