N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H20N2O2S — CID 54807586

IUPACN'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCNCc2cccs2)c1
InChIInChI=1S/C15H20N2O2S/c1-18-12-5-6-15(19-2)14(10-12)17-8-7-16-11-13-4-3-9-20-13/h3-6,9-10,16-17H,7-8,11H2,1-2H3
InChIKeyHCKXTQBPZTWZAY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.97
Rot. Bonds8

About N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54807586) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID54807586
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCNCc2cccs2)c1
InChIInChI=1S/C15H20N2O2S/c1-18-12-5-6-15(19-2)14(10-12)17-8-7-16-11-13-4-3-9-20-13/h3-6,9-10,16-17H,7-8,11H2,1-2H3
InChIKeyHCKXTQBPZTWZAY-UHFFFAOYSA-N
XLogP2.97
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 43090897
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
N'-(2,5-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807445
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62599304
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808025
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805900

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 54807586) is N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is COc1ccc(OC)c(NCCNCc2cccs2)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is HCKXTQBPZTWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-18-12-5-6-15(19-2)14(10-12)17-8-7-16-11-13-4-3-9-20-13/h3-6,9-10,16-17H,7-8,11H2,1-2H3.
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 292.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54807586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).