2-ethoxy-4-(4-ethylphenoxy)butan-1-amine

C14H23NO2 — CID 63072009

IUPAC2-ethoxy-4-(4-ethylphenoxy)butan-1-amine
SMILESCCOC(CN)CCOc1ccc(CC)cc1
InChIInChI=1S/C14H23NO2/c1-3-12-5-7-13(8-6-12)17-10-9-14(11-15)16-4-2/h5-8,14H,3-4,9-11,15H2,1-2H3
InChIKeyJUDZBJRXVCZPIF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds8

About 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine

2-ethoxy-4-(4-ethylphenoxy)butan-1-amine (PubChem CID 63072009) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(4-ethylphenoxy)butan-1-amine
PubChem CID63072009
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-ethoxy-4-(4-ethylphenoxy)butan-1-amine
SMILESCCOC(CN)CCOc1ccc(CC)cc1
InChIInChI=1S/C14H23NO2/c1-3-12-5-7-13(8-6-12)17-10-9-14(11-15)16-4-2/h5-8,14H,3-4,9-11,15H2,1-2H3
InChIKeyJUDZBJRXVCZPIF-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
CID 63071445
2-ethoxy-4-phenoxybutan-1-amine
CID 63070117
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638
4-(4-bromo-3-fluorophenoxy)-2-ethoxybutan-1-amine
CID 65203796
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine
CID 63070653
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethoxybutan-1-amine
CID 102714329
4-(3-bromo-5-fluorophenoxy)-2-ethoxybutan-1-amine
CID 81332335
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
benzyl 4-(3-ethoxypentoxy)benzoate
CID 163788919
ethane;(4-ethylphenoxy)methanamine
CID 145400359

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine (CID 63072009) is 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine is CCOC(CN)CCOc1ccc(CC)cc1.
What is the InChIKey of 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine?
The InChIKey is JUDZBJRXVCZPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-12-5-7-13(8-6-12)17-10-9-14(11-15)16-4-2/h5-8,14H,3-4,9-11,15H2,1-2H3.
What are the key properties of 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine?
2-ethoxy-4-(4-ethylphenoxy)butan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-ethylphenoxy)butan-1-amine is sourced from PubChem (CID 63072009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).