N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine

C15H20N2OS — CID 54983654

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCOc1ccccc1CN(C)C(CN)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-17(13(10-16)15-8-5-9-19-15)11-12-6-3-4-7-14(12)18-2/h3-9,13H,10-11,16H2,1-2H3
InChIKeyLQGDUTDIIUVOCW-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.89
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 54983654) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID54983654
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCOc1ccccc1CN(C)C(CN)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-17(13(10-16)15-8-5-9-19-15)11-12-6-3-4-7-14(12)18-2/h3-9,13H,10-11,16H2,1-2H3
InChIKeyLQGDUTDIIUVOCW-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 79427944
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 102838629
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420134
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 83090660
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420280
3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
CID 107208320
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine (CID 54983654) is N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine is COc1ccccc1CN(C)C(CN)c1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is LQGDUTDIIUVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17(13(10-16)15-8-5-9-19-15)11-12-6-3-4-7-14(12)18-2/h3-9,13H,10-11,16H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine?
N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 54983654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).