N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline

C18H18N2 — CID 107037421

IUPACN-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc3cnccc3c2)c(C)c1
InChIInChI=1S/C18H18N2/c1-13-3-6-18(14(2)9-13)20-11-15-4-5-17-12-19-8-7-16(17)10-15/h3-10,12,20H,11H2,1-2H3
InChIKeyDSZNZVXANSZWNT-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.46
Rot. Bonds3

About N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline

N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline (PubChem CID 107037421) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
PubChem CID107037421
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc3cnccc3c2)c(C)c1
InChIInChI=1S/C18H18N2/c1-13-3-6-18(14(2)9-13)20-11-15-4-5-17-12-19-8-7-16(17)10-15/h3-10,12,20H,11H2,1-2H3
InChIKeyDSZNZVXANSZWNT-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(isoquinolin-6-ylmethyl)-4-methylaniline
CID 107037459
5-chloro-N-(isoquinolin-6-ylmethyl)-2-methylaniline
CID 107037411
2,4,5-trichloro-N-(isoquinolin-6-ylmethyl)aniline
CID 107037484
2,4,5-trifluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038325
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
ethane;6-methylisoquinoline
CID 145106291
N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine
CID 107037935
2-bromo-5-chloro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038660
N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
CID 104796608
3,5-difluoro-N-(isoquinolin-6-ylmethyl)aniline
CID 107037597
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
1-N-(isoquinolin-6-ylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 107037855

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline (CID 107037421) is N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline is Cc1ccc(NCc2ccc3cnccc3c2)c(C)c1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline?
The InChIKey is DSZNZVXANSZWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-3-6-18(14(2)9-13)20-11-15-4-5-17-12-19-8-7-16(17)10-15/h3-10,12,20H,11H2,1-2H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline?
N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline has a molecular weight of 262.36 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline is sourced from PubChem (CID 107037421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).