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

C12H19NO — CID 43566029

IUPAC1-(4-ethoxyphenyl)butan-2-amine
SMILESCCOc1ccc(CC(N)CC)cc1
InChIInChI=1S/C12H19NO/c1-3-11(13)9-10-5-7-12(8-6-10)14-4-2/h5-8,11H,3-4,9,13H2,1-2H3
InChIKeyZUNPLRQCUQCXBS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds5

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

1-(4-ethoxyphenyl)butan-2-amine (PubChem CID 43566029) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)butan-2-amine
PubChem CID43566029
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-ethoxyphenyl)butan-2-amine
SMILESCCOc1ccc(CC(N)CC)cc1
InChIInChI=1S/C12H19NO/c1-3-11(13)9-10-5-7-12(8-6-10)14-4-2/h5-8,11H,3-4,9,13H2,1-2H3
InChIKeyZUNPLRQCUQCXBS-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-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 54930931
1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
CID 60907565
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301
1-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine
CID 66394480
1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728342
[(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate
CID 118340480
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4-ethoxyphenyl)butan-2-amine (CID 43566029) is 1-(4-ethoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)butan-2-amine is CCOc1ccc(CC(N)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)butan-2-amine?
The InChIKey is ZUNPLRQCUQCXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-11(13)9-10-5-7-12(8-6-10)14-4-2/h5-8,11H,3-4,9,13H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)butan-2-amine?
1-(4-ethoxyphenyl)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-ethoxyphenyl)butan-2-amine is sourced from PubChem (CID 43566029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).