2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine

C14H23NO3 — CID 63071638

IUPAC2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
SMILESCCOc1cccc(OCCC(CN)OCC)c1
InChIInChI=1S/C14H23NO3/c1-3-16-12-6-5-7-13(10-12)18-9-8-14(11-15)17-4-2/h5-7,10,14H,3-4,8-9,11,15H2,1-2H3
InChIKeySSMLGYRXBQRICK-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine

2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine (PubChem CID 63071638) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
PubChem CID63071638
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
SMILESCCOc1cccc(OCCC(CN)OCC)c1
InChIInChI=1S/C14H23NO3/c1-3-16-12-6-5-7-13(10-12)18-9-8-14(11-15)17-4-2/h5-7,10,14H,3-4,8-9,11,15H2,1-2H3
InChIKeySSMLGYRXBQRICK-UHFFFAOYSA-N
XLogP2.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-phenoxybutan-1-amine
CID 63070117
4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
CID 63071445
2-ethoxy-4-(4-ethylphenoxy)butan-1-amine
CID 63072009
4-(4-bromo-3-fluorophenoxy)-2-ethoxybutan-1-amine
CID 65203796
3-(3-chlorophenoxy)-2-ethoxypropan-1-amine
CID 63069680
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethoxybutan-1-amine
CID 102714329
4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine
CID 116820951
4-(3-bromo-5-fluorophenoxy)-2-ethoxybutan-1-amine
CID 81332335
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 55145902
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine (CID 63071638) is 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine is CCOc1cccc(OCCC(CN)OCC)c1.
What is the InChIKey of 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine?
The InChIKey is SSMLGYRXBQRICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-16-12-6-5-7-13(10-12)18-9-8-14(11-15)17-4-2/h5-7,10,14H,3-4,8-9,11,15H2,1-2H3.
What are the key properties of 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine?
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine is sourced from PubChem (CID 63071638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).