N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine

C13H16N2OS — CID 65383986

IUPACN-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCOc1ccccc1NC(CN)c1cccs1
InChIInChI=1S/C13H16N2OS/c1-16-12-6-3-2-5-10(12)15-11(9-14)13-7-4-8-17-13/h2-8,11,15H,9,14H2,1H3
InChIKeyQFUAHMWVNVRXCN-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.87
Rot. Bonds5

About N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine

N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 65383986) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID65383986
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCOc1ccccc1NC(CN)c1cccs1
InChIInChI=1S/C13H16N2OS/c1-16-12-6-3-2-5-10(12)15-11(9-14)13-7-4-8-17-13/h2-8,11,15H,9,14H2,1H3
InChIKeyQFUAHMWVNVRXCN-UHFFFAOYSA-N
XLogP2.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
2-N-(2-methoxyphenyl)pentane-1,2-diamine
CID 65385480
2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
CID 113298240
2-(2,2-dimethylhydrazinyl)-2-thiophen-2-ylethanamine
CID 83011900
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
5-methoxy-2-methyl-N-(1-thiophen-2-ylpropyl)pyridin-4-amine
CID 106660407
N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 54983654
N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
CID 60936190
1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
CID 65382943

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine (CID 65383986) is N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine is COc1ccccc1NC(CN)c1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is QFUAHMWVNVRXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-12-6-3-2-5-10(12)15-11(9-14)13-7-4-8-17-13/h2-8,11,15H,9,14H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine?
N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 65383986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).