1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone

C17H19NO2 — CID 104613187

IUPAC1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Oc2cccc(C(C)C)c2)ccc1N
InChIInChI=1S/C17H19NO2/c1-11(2)13-5-4-6-14(9-13)20-15-7-8-17(18)16(10-15)12(3)19/h4-11H,18H2,1-3H3
InChIKeyFXAMGIJDSNHYJE-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.39
Rot. Bonds4

About 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone

1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone (PubChem CID 104613187) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone
PubChem CID104613187
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Oc2cccc(C(C)C)c2)ccc1N
InChIInChI=1S/C17H19NO2/c1-11(2)13-5-4-6-14(9-13)20-15-7-8-17(18)16(10-15)12(3)19/h4-11H,18H2,1-3H3
InChIKeyFXAMGIJDSNHYJE-UHFFFAOYSA-N
XLogP4.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
CID 60986562
1-[2-amino-5-(4-iodophenoxy)phenyl]ethanone
CID 104613269
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
3-[3-(3-propan-2-ylphenoxy)phenyl]prop-2-enoic acid
CID 77013834
1-[2-amino-5-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanone
CID 104613352
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one
CID 83988037
1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 104529321
CID 91869714
CID 91869714

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone (CID 104613187) is 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone is CC(=O)c1cc(Oc2cccc(C(C)C)c2)ccc1N.
What is the InChIKey of 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone?
The InChIKey is FXAMGIJDSNHYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(2)13-5-4-6-14(9-13)20-15-7-8-17(18)16(10-15)12(3)19/h4-11H,18H2,1-3H3.
What are the key properties of 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone?
1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone has a molecular weight of 269.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone is sourced from PubChem (CID 104613187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).