2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol

C21H26N2O4 — CID 158246343

IUPAC2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol
SMILESCOCCOCCOc1cc(N)ccc1N.Oc1cccc2ccccc12
InChIInChI=1S/C11H18N2O3.C10H8O/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13;11-10-7-3-5-8-4-1-2-6-9(8)10/h2-3,8H,4-7,12-13H2,1H3;1-7,11H
InChIKeyGGDUOIOVGRXEML-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.44
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol

2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol (PubChem CID 158246343) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol
PubChem CID158246343
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol
SMILESCOCCOCCOc1cc(N)ccc1N.Oc1cccc2ccccc12
InChIInChI=1S/C11H18N2O3.C10H8O/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13;11-10-7-3-5-8-4-1-2-6-9(8)10/h2-3,8H,4-7,12-13H2,1H3;1-7,11H
InChIKeyGGDUOIOVGRXEML-UHFFFAOYSA-N
XLogP3.44
TPSA99.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine
CID 159595440
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-[2-[2-[2,2-diamino-2-(2,5-diaminophenoxy)ethoxy]ethoxy]ethoxy]benzene-1,4-diamine
CID 90896274
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol (CID 158246343) is 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol is COCCOCCOc1cc(N)ccc1N.Oc1cccc2ccccc12.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol?
The InChIKey is GGDUOIOVGRXEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.C10H8O/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13;11-10-7-3-5-8-4-1-2-6-9(8)10/h2-3,8H,4-7,12-13H2,1H3;1-7,11H.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol?
2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol has a molecular weight of 370.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol is sourced from PubChem (CID 158246343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).