2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine

C18H18N2S — CID 81229140

IUPAC2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine
SMILESCc1ccccc1SCC(N)c1cccc2ncccc12
InChIInChI=1S/C18H18N2S/c1-13-6-2-3-10-18(13)21-12-16(19)14-7-4-9-17-15(14)8-5-11-20-17/h2-11,16H,12,19H2,1H3
InChIKeyADPFDULAVIIXHR-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.34
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine

2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine (PubChem CID 81229140) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine
PubChem CID81229140
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine
SMILESCc1ccccc1SCC(N)c1cccc2ncccc12
InChIInChI=1S/C18H18N2S/c1-13-6-2-3-10-18(13)21-12-16(19)14-7-4-9-17-15(14)8-5-11-20-17/h2-11,16H,12,19H2,1H3
InChIKeyADPFDULAVIIXHR-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229156
2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
CID 103028668
(1R)-1-quinolin-5-ylethanamine
CID 55277010
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 106645751
CID 158967293
CID 158967293
N',N'-dimethyl-1-quinolin-5-ylpropane-1,3-diamine
CID 113291189
2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol
CID 81210035

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine (CID 81229140) is 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine is Cc1ccccc1SCC(N)c1cccc2ncccc12.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine?
The InChIKey is ADPFDULAVIIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-6-2-3-10-18(13)21-12-16(19)14-7-4-9-17-15(14)8-5-11-20-17/h2-11,16H,12,19H2,1H3.
What are the key properties of 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine?
2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine is sourced from PubChem (CID 81229140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).