1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine

C15H20N2OS — CID 65384943

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H20N2OS/c1-10-8-14(11(2)19-10)15(9-16)17-12-4-6-13(18-3)7-5-12/h4-8,15,17H,9,16H2,1-3H3
InChIKeySBPXNVRMIQVRNE-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.49
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine

1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65384943) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID65384943
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H20N2OS/c1-10-8-14(11(2)19-10)15(9-16)17-12-4-6-13(18-3)7-5-12/h4-8,15,17H,9,16H2,1-3H3
InChIKeySBPXNVRMIQVRNE-UHFFFAOYSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine
CID 65380518
1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65384942
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 66158421
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline
CID 62867709
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 61086865
N-but-3-yn-2-yl-1-(2,5-dimethylthiophen-3-yl)ethane-1,2-diamine
CID 114415852
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155
2-[1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-4-methoxyphenol
CID 43737447
(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61089487
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine (CID 65384943) is 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(NC(CN)c2cc(C)sc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is SBPXNVRMIQVRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-8-14(11(2)19-10)15(9-16)17-12-4-6-13(18-3)7-5-12/h4-8,15,17H,9,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).