N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine

C16H22N2OS — CID 62556181

IUPACN'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCOc1cccc(N(C)CCNCCc2ccsc2)c1
InChIInChI=1S/C16H22N2OS/c1-18(15-4-3-5-16(12-15)19-2)10-9-17-8-6-14-7-11-20-13-14/h3-5,7,11-13,17H,6,8-10H2,1-2H3
InChIKeyHCJKUEMONFEEPG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.03
Rot. Bonds8

About N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine

N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine (PubChem CID 62556181) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
PubChem CID62556181
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
SMILESCOc1cccc(N(C)CCNCCc2ccsc2)c1
InChIInChI=1S/C16H22N2OS/c1-18(15-4-3-5-16(12-15)19-2)10-9-17-8-6-14-7-11-20-13-14/h3-5,7,11-13,17H,6,8-10H2,1-2H3
InChIKeyHCJKUEMONFEEPG-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 62582791
N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 82892985
3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine
CID 113297740
N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55093367
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556925

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine (CID 62556181) is N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine is COc1cccc(N(C)CCNCCc2ccsc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
The InChIKey is HCJKUEMONFEEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-18(15-4-3-5-16(12-15)19-2)10-9-17-8-6-14-7-11-20-13-14/h3-5,7,11-13,17H,6,8-10H2,1-2H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine?
N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine has a molecular weight of 290.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).