4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine

C17H24N2OS — CID 63675669

IUPAC4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC(c2cccs2)C(C)C)ccc1N
InChIInChI=1S/C17H24N2OS/c1-4-9-20-15-11-13(7-8-14(15)18)19-17(12(2)3)16-6-5-10-21-16/h5-8,10-12,17,19H,4,9,18H2,1-3H3
InChIKeyCBJNIEPCWJBNTA-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.93
Rot. Bonds7

About 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine

4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine (PubChem CID 63675669) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine
PubChem CID63675669
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NC(c2cccs2)C(C)C)ccc1N
InChIInChI=1S/C17H24N2OS/c1-4-9-20-15-11-13(7-8-14(15)18)19-17(12(2)3)16-6-5-10-21-16/h5-8,10-12,17,19H,4,9,18H2,1-3H3
InChIKeyCBJNIEPCWJBNTA-UHFFFAOYSA-N
XLogP4.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
2-(4-amino-3-propoxyanilino)-N-methylpropanamide
CID 55232152
4-N-octan-4-yl-2-propoxybenzene-1,4-diamine
CID 106022654
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
4-N-[1-(4-fluorophenyl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63676849
2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
CID 63672206
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671289
4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43769722
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine (CID 63675669) is 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(NC(c2cccs2)C(C)C)ccc1N.
What is the InChIKey of 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine?
The InChIKey is CBJNIEPCWJBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-9-20-15-11-13(7-8-14(15)18)19-17(12(2)3)16-6-5-10-21-16/h5-8,10-12,17,19H,4,9,18H2,1-3H3.
What are the key properties of 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine?
4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63675669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).