1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H18N2O2S — CID 43527433

IUPAC1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N2O2S/c1-17(9-12-3-2-6-20-12)13(8-16)11-4-5-14-15(7-11)19-10-18-14/h2-7,13H,8-10,16H2,1H3
InChIKeyFZIGYTRFHUEJSZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.61
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 43527433) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID43527433
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H18N2O2S/c1-17(9-12-3-2-6-20-12)13(8-16)11-4-5-14-15(7-11)19-10-18-14/h2-7,13H,8-10,16H2,1H3
InChIKeyFZIGYTRFHUEJSZ-UHFFFAOYSA-N
XLogP2.61
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 79984334
N-methyl-1-(4-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60917484
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568969
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42455962
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471465
1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527387
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527436
1-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfanylethanamine
CID 64614007
1-(1,3-benzodioxol-5-yl)-N-butyl-N-ethylethane-1,2-diamine
CID 43327444

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 43527433) is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CN(Cc1cccs1)C(CN)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is FZIGYTRFHUEJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(9-12-3-2-6-20-12)13(8-16)11-4-5-14-15(7-11)19-10-18-14/h2-7,13H,8-10,16H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 290.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43527433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).