2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine

C13H20N2O2 — CID 55232740

IUPAC2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCC2CCCO2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-2-16-13-8-10(5-6-12(13)14)15-9-11-4-3-7-17-11/h5-6,8,11,15H,2-4,7,9,14H2,1H3
InChIKeyVSZKZZZMKNXTMG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.26
Rot. Bonds5

About 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine

2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine (PubChem CID 55232740) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
PubChem CID55232740
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCC2CCCO2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-2-16-13-8-10(5-6-12(13)14)15-9-11-4-3-7-17-11/h5-6,8,11,15H,2-4,7,9,14H2,1H3
InChIKeyVSZKZZZMKNXTMG-UHFFFAOYSA-N
XLogP2.26
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
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-(oxan-2-ylmethyl)benzene-1,4-diamine
CID 55233551
3-chloro-4-ethoxy-N-(oxolan-2-ylmethyl)aniline
CID 82835543
ethyl 2-amino-5-(oxolan-2-ylmethylamino)benzoate
CID 61305308
4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine
CID 57243340
4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115523
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228
4-bromo-3-methoxy-N-(oxolan-2-ylmethyl)aniline
CID 82858458
2-ethoxy-4-N-(oxan-3-yl)benzene-1,4-diamine
CID 55232763
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethoxybenzene-1,4-diamine
CID 81038675
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
2-amino-4-(oxolan-2-ylmethylamino)benzoic acid
CID 104500178
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine (CID 55232740) is 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine is CCOc1cc(NCC2CCCO2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is VSZKZZZMKNXTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-16-13-8-10(5-6-12(13)14)15-9-11-4-3-7-17-11/h5-6,8,11,15H,2-4,7,9,14H2,1H3.
What are the key properties of 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine?
2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 236.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 55232740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).