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

C12H19NO — CID 62038281

IUPAC1-(4-ethylphenoxy)butan-2-amine
SMILESCCc1ccc(OCC(N)CC)cc1
InChIInChI=1S/C12H19NO/c1-3-10-5-7-12(8-6-10)14-9-11(13)4-2/h5-8,11H,3-4,9,13H2,1-2H3
InChIKeyMGBUANKYQZRRHR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds5

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

1-(4-ethylphenoxy)butan-2-amine (PubChem CID 62038281) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenoxy)butan-2-amine
PubChem CID62038281
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-ethylphenoxy)butan-2-amine
SMILESCCc1ccc(OCC(N)CC)cc1
InChIInChI=1S/C12H19NO/c1-3-10-5-7-12(8-6-10)14-9-11(13)4-2/h5-8,11H,3-4,9,13H2,1-2H3
InChIKeyMGBUANKYQZRRHR-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-(4-ethylphenoxy)-N-methylbutan-2-amine
CID 62038493
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
4-(4-ethylphenoxy)-3-methylbutan-1-amine
CID 112515228
2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
CID 43094130
ethane;(4-ethylphenoxy)methanamine
CID 145400359
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)butan-2-amine?
The IUPAC name of 1-(4-ethylphenoxy)butan-2-amine (CID 62038281) is 1-(4-ethylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(4-ethylphenoxy)butan-2-amine?
The canonical SMILES for 1-(4-ethylphenoxy)butan-2-amine is CCc1ccc(OCC(N)CC)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)butan-2-amine?
The InChIKey is MGBUANKYQZRRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10-5-7-12(8-6-10)14-9-11(13)4-2/h5-8,11H,3-4,9,13H2,1-2H3.
What are the key properties of 1-(4-ethylphenoxy)butan-2-amine?
1-(4-ethylphenoxy)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)butan-2-amine is sourced from PubChem (CID 62038281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).