2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

C14H18N2OS — CID 55234561

IUPAC2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCOc1cc(N(C)C(C)c2cccs2)ccc1N
InChIInChI=1S/C14H18N2OS/c1-10(14-5-4-8-18-14)16(2)11-6-7-12(15)13(9-11)17-3/h4-10H,15H2,1-3H3
InChIKeyRKVNCYDTESWGDC-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.54
Rot. Bonds4

About 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (PubChem CID 55234561) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
PubChem CID55234561
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCOc1cc(N(C)C(C)c2cccs2)ccc1N
InChIInChI=1S/C14H18N2OS/c1-10(14-5-4-8-18-14)16(2)11-6-7-12(15)13(9-11)17-3/h4-10H,15H2,1-3H3
InChIKeyRKVNCYDTESWGDC-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 63675312
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
CID 107208320
2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 81276573
2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 112746053
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63794024
4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 54980639
4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 54980798
1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone
CID 79600580
3-N-methyl-5-propoxy-3-N-(1-thiophen-2-ylethyl)benzene-1,3-diamine
CID 80739267
2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61109023

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (CID 55234561) is 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is COc1cc(N(C)C(C)c2cccs2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The InChIKey is RKVNCYDTESWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(14-5-4-8-18-14)16(2)11-6-7-12(15)13(9-11)17-3/h4-10H,15H2,1-3H3.
What are the key properties of 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 55234561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).