4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline

C19H25NO2 — CID 54796515

IUPAC4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline
SMILESCCOc1ccc(NCC(C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-4-16-6-10-19(11-7-16)22-15(3)14-20-17-8-12-18(13-9-17)21-5-2/h6-13,15,20H,4-5,14H2,1-3H3
InChIKeyPQHVIEQZZCFJJR-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.53
Rot. Bonds8

About 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline

4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline (PubChem CID 54796515) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline
PubChem CID54796515
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline
SMILESCCOc1ccc(NCC(C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-4-16-6-10-19(11-7-16)22-15(3)14-20-17-8-12-18(13-9-17)21-5-2/h6-13,15,20H,4-5,14H2,1-3H3
InChIKeyPQHVIEQZZCFJJR-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butylphenoxy)propyl]-4-ethoxyaniline
CID 54796469
2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
1-N-(4-ethoxyphenyl)-3-methylbutane-1,2-diamine
CID 83961932
4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852912
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
3-(4-ethoxyanilino)-2-methylpropanenitrile
CID 43245379
4-hexoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54798778
4-hexoxy-N-[2-(4-methylphenoxy)propyl]aniline
CID 54798872
N-[2-(4-ethylphenoxy)propyl]pentan-3-amine
CID 55088068
methyl 3-(4-ethoxyanilino)-2-methylpropanoate
CID 43538385

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline?
The IUPAC name of 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline (CID 54796515) is 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline?
The canonical SMILES for 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline is CCOc1ccc(NCC(C)Oc2ccc(CC)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline?
The InChIKey is PQHVIEQZZCFJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-16-6-10-19(11-7-16)22-15(3)14-20-17-8-12-18(13-9-17)21-5-2/h6-13,15,20H,4-5,14H2,1-3H3.
What are the key properties of 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline?
4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline is sourced from PubChem (CID 54796515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).