N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine

C18H18N2S — CID 81228674

IUPACN-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine
SMILESCNC(CSc1ccccc1)c1ccc2cccnc2c1
InChIInChI=1S/C18H18N2S/c1-19-18(13-21-16-7-3-2-4-8-16)15-10-9-14-6-5-11-20-17(14)12-15/h2-12,18-19H,13H2,1H3
InChIKeyBSMMNGRTKAJUTH-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.29
Rot. Bonds5

About N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine

N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine (PubChem CID 81228674) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine
PubChem CID81228674
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine
SMILESCNC(CSc1ccccc1)c1ccc2cccnc2c1
InChIInChI=1S/C18H18N2S/c1-19-18(13-21-16-7-3-2-4-8-16)15-10-9-14-6-5-11-20-17(14)12-15/h2-12,18-19H,13H2,1H3
InChIKeyBSMMNGRTKAJUTH-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine
CID 81228669
3-methoxy-N-methyl-1-quinolin-7-ylbutan-1-amine
CID 113391406
N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231123
N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81231399
2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
CID 103516964
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
CID 105172657
(2-methoxy-1-quinolin-7-ylethyl)hydrazine
CID 105207158
3-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
CID 105172706
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine
CID 81231645

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine?
The IUPAC name of N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine (CID 81228674) is N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine.
What is the SMILES notation for N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine?
The canonical SMILES for N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine is CNC(CSc1ccccc1)c1ccc2cccnc2c1.
What is the InChIKey of N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine?
The InChIKey is BSMMNGRTKAJUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-19-18(13-21-16-7-3-2-4-8-16)15-10-9-14-6-5-11-20-17(14)12-15/h2-12,18-19H,13H2,1H3.
What are the key properties of N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine?
N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine is sourced from PubChem (CID 81228674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).