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

C14H22N2O2 — CID 55233551

IUPAC2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCC2CCCCO2)ccc1N
InChIInChI=1S/C14H22N2O2/c1-2-17-14-9-11(6-7-13(14)15)16-10-12-5-3-4-8-18-12/h6-7,9,12,16H,2-5,8,10,15H2,1H3
InChIKeyYKXRVDGUNVJMJC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.65
Rot. Bonds5

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

2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine (PubChem CID 55233551) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine
PubChem CID55233551
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCC2CCCCO2)ccc1N
InChIInChI=1S/C14H22N2O2/c1-2-17-14-9-11(6-7-13(14)15)16-10-12-5-3-4-8-18-12/h6-7,9,12,16H,2-5,8,10,15H2,1H3
InChIKeyYKXRVDGUNVJMJC-UHFFFAOYSA-N
XLogP2.65
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.65
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-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 55232740
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-[(1,1-dioxothiolan-2-yl)methyl]-2-ethoxybenzene-1,4-diamine
CID 81038675
5-methoxy-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 80739281
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
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
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine (CID 55233551) is 2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine is CCOc1cc(NCC2CCCCO2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is YKXRVDGUNVJMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-17-14-9-11(6-7-13(14)15)16-10-12-5-3-4-8-18-12/h6-7,9,12,16H,2-5,8,10,15H2,1H3.
What are the key properties of 2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine?
2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 250.34 g/mol, XLogP of 2.65, 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-(oxan-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 55233551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).