N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline

C18H18N2 — CID 116997422

IUPACN-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline
SMILESCNc1cccc(Cc2ccc3ncc(C)cc3c2)c1
InChIInChI=1S/C18H18N2/c1-13-8-16-10-15(6-7-18(16)20-12-13)9-14-4-3-5-17(11-14)19-2/h3-8,10-12,19H,9H2,1-2H3
InChIKeyVKLHUXMJOCAPJU-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.18
Rot. Bonds3

About N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline

N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline (PubChem CID 116997422) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline
PubChem CID116997422
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline
SMILESCNc1cccc(Cc2ccc3ncc(C)cc3c2)c1
InChIInChI=1S/C18H18N2/c1-13-8-16-10-15(6-7-18(16)20-12-13)9-14-4-3-5-17(11-14)19-2/h3-8,10-12,19H,9H2,1-2H3
InChIKeyVKLHUXMJOCAPJU-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
6-(2-chloroethyl)-3-methylquinoline
CID 116997430
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
2-ethylnaphthalene;3-methylquinoline
CID 143066870
(3-methylquinolin-6-yl)hydrazine
CID 116997851
4-(3-methylquinolin-6-yl)butan-2-amine
CID 116997396
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
CID 177184332
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116925863
3-methyl-2-[(3-methylquinolin-6-yl)methyl]butanenitrile
CID 116997500
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanol
CID 116997477

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline?
The IUPAC name of N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline (CID 116997422) is N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline.
What is the SMILES notation for N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline?
The canonical SMILES for N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline is CNc1cccc(Cc2ccc3ncc(C)cc3c2)c1.
What is the InChIKey of N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline?
The InChIKey is VKLHUXMJOCAPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-8-16-10-15(6-7-18(16)20-12-13)9-14-4-3-5-17(11-14)19-2/h3-8,10-12,19H,9H2,1-2H3.
What are the key properties of N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline?
N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline has a molecular weight of 262.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline is sourced from PubChem (CID 116997422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).