2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

C15H20N2OS — CID 63675312

IUPAC2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCCOc1cc(N(C)C(C)c2cccs2)ccc1N
InChIInChI=1S/C15H20N2OS/c1-4-18-14-10-12(7-8-13(14)16)17(3)11(2)15-6-5-9-19-15/h5-11H,4,16H2,1-3H3
InChIKeyHYUWQOTVKHFOHW-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.93
Rot. Bonds5

About 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (PubChem CID 63675312) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
PubChem CID63675312
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCCOc1cc(N(C)C(C)c2cccs2)ccc1N
InChIInChI=1S/C15H20N2OS/c1-4-18-14-10-12(7-8-13(14)16)17(3)11(2)15-6-5-9-19-15/h5-11H,4,16H2,1-3H3
InChIKeyHYUWQOTVKHFOHW-UHFFFAOYSA-N
XLogP3.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-(3-methoxyphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598526
1-(2-Ethoxyphenyl)-4-(2-thienylmethyl)piperazine
CID 792460
N-(2-Fluoro-5-{2-[(thiophen-2-ylmethyl)-amino]-ethoxy}-phenyl)-methanesulfonamide
CID 44332613
3-methoxy-N-[[5-[(3-methoxyanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155537543
N'-[4-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-7-yl]thiophene-2-carboximidamide
CID 44599932
N-(4-(2-(Dimethylamino)ethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)thiophene-2-carboximidamide
CID 44599936
1-(2,5-Dimethoxyphenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016714
1-(2,5-Dimethoxyphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 799784
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)-N-(1-thien-2-ylethyl)thiourea
CID 3518094
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N-(1-thien-2-ylethyl)thiourea
CID 3518095
1-(2-Ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
CID 3866583
N-(4-(2-(Ethylamino)ethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)thiophene-2-carboximidamide
CID 44599937

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (CID 63675312) is 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is CCOc1cc(N(C)C(C)c2cccs2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The InChIKey is HYUWQOTVKHFOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-18-14-10-12(7-8-13(14)16)17(3)11(2)15-6-5-9-19-15/h5-11H,4,16H2,1-3H3.
What are the key properties of 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 63675312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).