N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine

C18H18N2S — CID 66353702

IUPACN-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine
SMILESCNCc1cccc(SCc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H18N2S/c1-19-12-14-4-2-6-17(11-14)21-13-15-7-8-18-16(10-15)5-3-9-20-18/h2-11,19H,12-13H2,1H3
InChIKeyCBRBWCRYGYNBBC-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.25
Rot. Bonds5

About N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine

N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine (PubChem CID 66353702) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine
PubChem CID66353702
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine
SMILESCNCc1cccc(SCc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H18N2S/c1-19-12-14-4-2-6-17(11-14)21-13-15-7-8-18-16(10-15)5-3-9-20-18/h2-11,19H,12-13H2,1H3
InChIKeyCBRBWCRYGYNBBC-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
CID 66346653
1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66356452
1-[3-[(5-fluoro-3-pyridinyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114084753
6-(2-methoxyethylsulfanylmethyl)quinoline
CID 136532204
2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63966499
N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
CID 66356441
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
CID 79142489
1-(3-but-2-enylsulfanylphenyl)-N-methylmethanamine
CID 77126312
1-methyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 115635138
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine (CID 66353702) is N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine is CNCc1cccc(SCc2ccc3ncccc3c2)c1.
What is the InChIKey of N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine?
The InChIKey is CBRBWCRYGYNBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-19-12-14-4-2-6-17(11-14)21-13-15-7-8-18-16(10-15)5-3-9-20-18/h2-11,19H,12-13H2,1H3.
What are the key properties of N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine?
N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(quinolin-6-ylmethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 66353702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).