2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine

C17H22N2O2 — CID 63676287

IUPAC2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
SMILESCCOc1cc(NCCCOc2ccccc2)ccc1N
InChIInChI=1S/C17H22N2O2/c1-2-20-17-13-14(9-10-16(17)18)19-11-6-12-21-15-7-4-3-5-8-15/h3-5,7-10,13,19H,2,6,11-12,18H2,1H3
InChIKeyAXGFUEMQESWKAW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.55
Rot. Bonds8

About 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine

2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine (PubChem CID 63676287) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
PubChem CID63676287
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
SMILESCCOc1cc(NCCCOc2ccccc2)ccc1N
InChIInChI=1S/C17H22N2O2/c1-2-20-17-13-14(9-10-16(17)18)19-11-6-12-21-15-7-4-3-5-8-15/h3-5,7-10,13,19H,2,6,11-12,18H2,1H3
InChIKeyAXGFUEMQESWKAW-UHFFFAOYSA-N
XLogP3.55
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 63593234
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
2-amino-4-(3-phenoxypropylamino)benzoic acid
CID 104500559
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine
CID 114465365
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
CID 114839538
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
CID 89075678
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
CID 106334327

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine (CID 63676287) is 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine is CCOc1cc(NCCCOc2ccccc2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine?
The InChIKey is AXGFUEMQESWKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-20-17-13-14(9-10-16(17)18)19-11-6-12-21-15-7-4-3-5-8-15/h3-5,7-10,13,19H,2,6,11-12,18H2,1H3.
What are the key properties of 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine?
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine is sourced from PubChem (CID 63676287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).