4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine

C17H24N2O2S — CID 70163635

IUPAC4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)c(-c2cc(C)cs2)c1
InChIInChI=1S/C17H24N2O2S/c1-13-10-17(22-12-13)15-11-14(4-5-16(15)18)19(6-8-20-2)7-9-21-3/h4-5,10-12H,6-9,18H2,1-3H3
InChIKeyQCEOXTIOKHRVJB-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.40
Rot. Bonds8

About 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine

4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine (PubChem CID 70163635) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine
PubChem CID70163635
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)c(-c2cc(C)cs2)c1
InChIInChI=1S/C17H24N2O2S/c1-13-10-17(22-12-13)15-11-14(4-5-16(15)18)19(6-8-20-2)7-9-21-3/h4-5,10-12H,6-9,18H2,1-3H3
InChIKeyQCEOXTIOKHRVJB-UHFFFAOYSA-N
XLogP3.40
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371224
2-[2-(bromomethyl)phenyl]-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371437
2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde
CID 18371411
4-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]benzoic acid
CID 18371335
4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine
CID 18371805
2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63675678
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3-[3-amino-N-(2-methoxyethyl)-4-methylanilino]propanenitrile
CID 63285271
1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
CID 104528435
2-[4-amino-N-(2-hydroxyethyl)-3-thiophen-2-ylanilino]ethanol
CID 18798861
2-[2-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]acetonitrile
CID 102624100

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine (CID 70163635) is 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine is COCCN(CCOC)c1ccc(N)c(-c2cc(C)cs2)c1.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine?
The InChIKey is QCEOXTIOKHRVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-13-10-17(22-12-13)15-11-14(4-5-16(15)18)19(6-8-20-2)7-9-21-3/h4-5,10-12H,6-9,18H2,1-3H3.
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine?
4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine has a molecular weight of 320.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 70163635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).