N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine

C17H24N2OS — CID 62844842

IUPACN'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-19(10-11-20-2)9-8-18-13-17-12-16(14-21-17)15-6-4-3-5-7-15/h3-7,12,14,18H,8-11,13H2,1-2H3
InChIKeySUSSASAVBMFPLK-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.08
Rot. Bonds9

About N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 62844842) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID62844842
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-19(10-11-20-2)9-8-18-13-17-12-16(14-21-17)15-6-4-3-5-7-15/h3-7,12,14,18H,8-11,13H2,1-2H3
InChIKeySUSSASAVBMFPLK-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62844142
N-(1-benzothiophen-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843966
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 103081163
N'-(2-methoxyethyl)-N'-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62843067
5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249681
2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 115632380
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 62844842) is N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine is COCCN(C)CCNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is SUSSASAVBMFPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-19(10-11-20-2)9-8-18-13-17-12-16(14-21-17)15-6-4-3-5-7-15/h3-7,12,14,18H,8-11,13H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62844842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).