4-(3-ethylphenoxy)-2-propoxyaniline

C17H21NO2 — CID 63676136

IUPAC4-(3-ethylphenoxy)-2-propoxyaniline
SMILESCCCOc1cc(Oc2cccc(CC)c2)ccc1N
InChIInChI=1S/C17H21NO2/c1-3-10-19-17-12-15(8-9-16(17)18)20-14-7-5-6-13(4-2)11-14/h5-9,11-12H,3-4,10,18H2,1-2H3
InChIKeyBJKPQRTTZBMFAW-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.41
Rot. Bonds6

About 4-(3-ethylphenoxy)-2-propoxyaniline

4-(3-ethylphenoxy)-2-propoxyaniline (PubChem CID 63676136) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-2-propoxyaniline.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-2-propoxyaniline
PubChem CID63676136
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(3-ethylphenoxy)-2-propoxyaniline
SMILESCCCOc1cc(Oc2cccc(CC)c2)ccc1N
InChIInChI=1S/C17H21NO2/c1-3-10-19-17-12-15(8-9-16(17)18)20-14-7-5-6-13(4-2)11-14/h5-9,11-12H,3-4,10,18H2,1-2H3
InChIKeyBJKPQRTTZBMFAW-UHFFFAOYSA-N
XLogP4.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-ethylphenoxy)-2-propoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601
4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline
CID 116688595
2-amino-5-(3-ethylphenoxy)benzonitrile
CID 113324087
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
2-ethoxy-4-propoxyaniline
CID 63677806
4-octoxy-2-propoxyaniline
CID 63676334
2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
CID 107712031
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
4-(5-bromo-2-methylphenoxy)-2-propoxyaniline
CID 107283362

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-2-propoxyaniline?
The IUPAC name of 4-(3-ethylphenoxy)-2-propoxyaniline (CID 63676136) is 4-(3-ethylphenoxy)-2-propoxyaniline.
What is the SMILES notation for 4-(3-ethylphenoxy)-2-propoxyaniline?
The canonical SMILES for 4-(3-ethylphenoxy)-2-propoxyaniline is CCCOc1cc(Oc2cccc(CC)c2)ccc1N.
What is the InChIKey of 4-(3-ethylphenoxy)-2-propoxyaniline?
The InChIKey is BJKPQRTTZBMFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-10-19-17-12-15(8-9-16(17)18)20-14-7-5-6-13(4-2)11-14/h5-9,11-12H,3-4,10,18H2,1-2H3.
What are the key properties of 4-(3-ethylphenoxy)-2-propoxyaniline?
4-(3-ethylphenoxy)-2-propoxyaniline has a molecular weight of 271.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-2-propoxyaniline is sourced from PubChem (CID 63676136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).