1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine

C14H18N2S — CID 65380518

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine
SMILESCc1cc(C(CN)Nc2ccccc2)c(C)s1
InChIInChI=1S/C14H18N2S/c1-10-8-13(11(2)17-10)14(9-15)16-12-6-4-3-5-7-12/h3-8,14,16H,9,15H2,1-2H3
InChIKeyWPVZWDNKUMFESJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.48
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine

1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine (PubChem CID 65380518) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine
PubChem CID65380518
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine
SMILESCc1cc(C(CN)Nc2ccccc2)c(C)s1
InChIInChI=1S/C14H18N2S/c1-10-8-13(11(2)17-10)14(9-15)16-12-6-4-3-5-7-12/h3-8,14,16H,9,15H2,1-2H3
InChIKeyWPVZWDNKUMFESJ-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine (CID 65380518) is 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine is Cc1cc(C(CN)Nc2ccccc2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine?
The InChIKey is WPVZWDNKUMFESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-8-13(11(2)17-10)14(9-15)16-12-6-4-3-5-7-12/h3-8,14,16H,9,15H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine?
1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine has a molecular weight of 246.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 65380518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).