1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C14H24N2OS — CID 112658133

IUPAC1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)N(C)CCSC)cc1
InChIInChI=1S/C14H24N2OS/c1-4-17-13-7-5-12(6-8-13)14(11-15)16(2)9-10-18-3/h5-8,14H,4,9-11,15H2,1-3H3
InChIKeyCOHZEBMTLUHRJR-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.38
Rot. Bonds8

About 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 112658133) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID112658133
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)N(C)CCSC)cc1
InChIInChI=1S/C14H24N2OS/c1-4-17-13-7-5-12(6-8-13)14(11-15)16(2)9-10-18-3/h5-8,14H,4,9-11,15H2,1-3H3
InChIKeyCOHZEBMTLUHRJR-UHFFFAOYSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
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-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 115985624
1-(4-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658234
N-methyl-N-(3-methylsulfanylpropyl)-1-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 114236746
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 105405164
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106528761
1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905470
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 112658133) is 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CCOc1ccc(C(CN)N(C)CCSC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is COHZEBMTLUHRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-17-13-7-5-12(6-8-13)14(11-15)16(2)9-10-18-3/h5-8,14H,4,9-11,15H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 112658133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).