3-(3-ethoxyphenoxy)butan-1-amine

C12H19NO2 — CID 112507822

IUPAC3-(3-ethoxyphenoxy)butan-1-amine
SMILESCCOc1cccc(OC(C)CCN)c1
InChIInChI=1S/C12H19NO2/c1-3-14-11-5-4-6-12(9-11)15-10(2)7-8-13/h4-6,9-10H,3,7-8,13H2,1-2H3
InChIKeyRVUSYCBKJPQTRJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.20
Rot. Bonds6

About 3-(3-ethoxyphenoxy)butan-1-amine

3-(3-ethoxyphenoxy)butan-1-amine (PubChem CID 112507822) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)butan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)butan-1-amine
PubChem CID112507822
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(3-ethoxyphenoxy)butan-1-amine
SMILESCCOc1cccc(OC(C)CCN)c1
InChIInChI=1S/C12H19NO2/c1-3-14-11-5-4-6-12(9-11)15-10(2)7-8-13/h4-6,9-10H,3,7-8,13H2,1-2H3
InChIKeyRVUSYCBKJPQTRJ-UHFFFAOYSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
3-(3-chlorophenoxy)butan-1-amine;propanoic acid
CID 142907984
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 55073189
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 62337852
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)butan-1-amine?
The IUPAC name of 3-(3-ethoxyphenoxy)butan-1-amine (CID 112507822) is 3-(3-ethoxyphenoxy)butan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenoxy)butan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenoxy)butan-1-amine is CCOc1cccc(OC(C)CCN)c1.
What is the InChIKey of 3-(3-ethoxyphenoxy)butan-1-amine?
The InChIKey is RVUSYCBKJPQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-14-11-5-4-6-12(9-11)15-10(2)7-8-13/h4-6,9-10H,3,7-8,13H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenoxy)butan-1-amine?
3-(3-ethoxyphenoxy)butan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenoxy)butan-1-amine is sourced from PubChem (CID 112507822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).