1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine

C15H19ClN2OS — CID 79427944

IUPAC1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
SMILESCOc1ccccc1CN(C)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C15H19ClN2OS/c1-18(9-11-5-3-4-6-14(11)19-2)13(8-17)15-7-12(16)10-20-15/h3-7,10,13H,8-9,17H2,1-2H3
InChIKeyXAZIJLZIKFTFIY-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.54
Rot. Bonds6

About 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 79427944) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID79427944
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
SMILESCOc1ccccc1CN(C)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C15H19ClN2OS/c1-18(9-11-5-3-4-6-14(11)19-2)13(8-17)15-7-12(16)10-20-15/h3-7,10,13H,8-9,17H2,1-2H3
InChIKeyXAZIJLZIKFTFIY-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 54983654
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 102838629
1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 79426613
1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 79427830
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420134
1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol
CID 79427096
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-6-methoxyphenyl)-N-methylethane-1,2-diamine
CID 104816285
1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413428
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 83090660

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine (CID 79427944) is 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine is COc1ccccc1CN(C)C(CN)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is XAZIJLZIKFTFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-18(9-11-5-3-4-6-14(11)19-2)13(8-17)15-7-12(16)10-20-15/h3-7,10,13H,8-9,17H2,1-2H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 310.85 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 79427944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).