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

C15H26N2OS — CID 112658310

IUPACN-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(C)CCSC)cc1
InChIInChI=1S/C15H26N2OS/c1-4-10-18-14-7-5-13(6-8-14)15(12-16)17(2)9-11-19-3/h5-8,15H,4,9-12,16H2,1-3H3
InChIKeyUOBGQTAHPWOSGC-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.77
Rot. Bonds9

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

N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 112658310) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID112658310
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(C)CCSC)cc1
InChIInChI=1S/C15H26N2OS/c1-4-10-18-14-7-5-13(6-8-14)15(12-16)17(2)9-11-19-3/h5-8,15H,4,9-12,16H2,1-3H3
InChIKeyUOBGQTAHPWOSGC-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.77
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
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
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495292
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
N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62496776
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 105405164
N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine
CID 20546440
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 112658310) is N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(CN)N(C)CCSC)cc1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is UOBGQTAHPWOSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-10-18-14-7-5-13(6-8-14)15(12-16)17(2)9-11-19-3/h5-8,15H,4,9-12,16H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 282.45 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 112658310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).