1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C16H22N2O2S — CID 43527387

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CN)N(C)Cc2cccs2)c1
InChIInChI=1S/C16H22N2O2S/c1-18(11-13-5-4-8-21-13)15(10-17)14-9-12(19-2)6-7-16(14)20-3/h4-9,15H,10-11,17H2,1-3H3
InChIKeyIPMVCYJROYZEOR-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.90
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 43527387) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID43527387
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CN)N(C)Cc2cccs2)c1
InChIInChI=1S/C16H22N2O2S/c1-18(11-13-5-4-8-21-13)15(10-17)14-9-12(19-2)6-7-16(14)20-3/h4-9,15H,10-11,17H2,1-3H3
InChIKeyIPMVCYJROYZEOR-UHFFFAOYSA-N
XLogP2.90
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527436
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2,5-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842302
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60917484
1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571892
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471465
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115861031
1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 43527387) is 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is COc1ccc(OC)c(C(CN)N(C)Cc2cccs2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is IPMVCYJROYZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-18(11-13-5-4-8-21-13)15(10-17)14-9-12(19-2)6-7-16(14)20-3/h4-9,15H,10-11,17H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 306.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43527387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).