1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C17H24N2OS — CID 115985624

IUPAC1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCOc1ccc2cc(C(CN)N(C)CCSC)ccc2c1
InChIInChI=1S/C17H24N2OS/c1-19(8-9-21-3)17(12-18)15-5-4-14-11-16(20-2)7-6-13(14)10-15/h4-7,10-11,17H,8-9,12,18H2,1-3H3
InChIKeyXDXZVTNMVWNXJV-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.14
Rot. Bonds7

About 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 115985624) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID115985624
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCOc1ccc2cc(C(CN)N(C)CCSC)ccc2c1
InChIInChI=1S/C17H24N2OS/c1-19(8-9-21-3)17(12-18)15-5-4-14-11-16(20-2)7-6-13(14)10-15/h4-7,10-11,17H,8-9,12,18H2,1-3H3
InChIKeyXDXZVTNMVWNXJV-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658133
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 105405164
1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657342
1-(4-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657404
N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
CID 112657406
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
2-(2,2-dimethylhydrazinyl)-2-(6-methoxynaphthalen-2-yl)ethanamine
CID 83011600
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761
4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
CID 113499536

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 115985624) is 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is COc1ccc2cc(C(CN)N(C)CCSC)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is XDXZVTNMVWNXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-19(8-9-21-3)17(12-18)15-5-4-14-11-16(20-2)7-6-13(14)10-15/h4-7,10-11,17H,8-9,12,18H2,1-3H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 115985624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).