1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one

C14H21NO2 — CID 116591045

IUPAC1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCC(C)c1ccc(CC(=O)COCCN)cc1
InChIInChI=1S/C14H21NO2/c1-11(2)13-5-3-12(4-6-13)9-14(16)10-17-8-7-15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyVXBBSIQHXSYNCX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds7

About 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one

1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one (PubChem CID 116591045) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one
PubChem CID116591045
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one
SMILESCC(C)c1ccc(CC(=O)COCCN)cc1
InChIInChI=1S/C14H21NO2/c1-11(2)13-5-3-12(4-6-13)9-14(16)10-17-8-7-15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyVXBBSIQHXSYNCX-UHFFFAOYSA-N
XLogP1.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one
CID 116591013
1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one
CID 105412017
1-(2-aminoethoxy)-3-(3-hydroxyphenyl)propan-2-one
CID 116590839
1-(2-aminoethoxy)-3-(3-methoxyphenyl)propan-2-one
CID 116590894
1-(4-aminophenyl)-3-ethoxypropan-2-one
CID 116549423
2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine
CID 82181159
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
CID 106448309
2-[2-[(4-propan-2-ylphenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181090
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 122692683

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one (CID 116591045) is 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one is CC(C)c1ccc(CC(=O)COCCN)cc1.
What is the InChIKey of 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one?
The InChIKey is VXBBSIQHXSYNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)13-5-3-12(4-6-13)9-14(16)10-17-8-7-15/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one?
1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 116591045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).