N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine

C16H22N2S — CID 106313190

IUPACN'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(CNCC(N)c2ccc(C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-3-14-8-9-15(19-14)10-18-11-16(17)13-6-4-12(2)5-7-13/h4-9,16,18H,3,10-11,17H2,1-2H3
InChIKeyRDJJTDJEKFATBX-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.41
Rot. Bonds6

About N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine

N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106313190) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106313190
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(CNCC(N)c2ccc(C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-3-14-8-9-15(19-14)10-18-11-16(17)13-6-4-12(2)5-7-13/h4-9,16,18H,3,10-11,17H2,1-2H3
InChIKeyRDJJTDJEKFATBX-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine (CID 106313190) is N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine is CCc1ccc(CNCC(N)c2ccc(C)cc2)s1.
What is the InChIKey of N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is RDJJTDJEKFATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-14-8-9-15(19-14)10-18-11-16(17)13-6-4-12(2)5-7-13/h4-9,16,18H,3,10-11,17H2,1-2H3.
What are the key properties of N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106313190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).