2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one

C22H29NO2 — CID 46307345

IUPAC2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C22H29NO2/c1-5-9-20(25-19-11-8-7-10-18(19)23)21(24)16-12-14-17(15-13-16)22(3,4)6-2/h7-8,10-15,20H,5-6,9,23H2,1-4H3
InChIKeyQFDDILILKSFGDB-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.39
Rot. Bonds8

About 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one

2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one (PubChem CID 46307345) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one
PubChem CID46307345
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one
SMILESCCCC(Oc1ccccc1N)C(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C22H29NO2/c1-5-9-20(25-19-11-8-7-10-18(19)23)21(24)16-12-14-17(15-13-16)22(3,4)6-2/h7-8,10-15,20H,5-6,9,23H2,1-4H3
InChIKeyQFDDILILKSFGDB-UHFFFAOYSA-N
XLogP5.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.39
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-(2-aminophenoxy)-1-(4-methylphenyl)pentan-1-one
CID 46307329
2-(2-aminophenoxy)-1-(4-phenylphenyl)pentan-1-one
CID 46307352
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
CID 46307454
2-(2-aminophenoxy)-1-(2,4-dibromophenyl)pentan-1-one
CID 46307428
2-(2-amino-4-methylphenoxy)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 46307864
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
2-(4-tert-butylphenoxy)-1-pyridin-3-ylpentan-1-one
CID 86157446
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
ethyl 3-(2-aminophenoxy)-2-methoxy-3-phenylpropanoate;hydrochloride
CID 23458283
1-(4-tert-butylphenyl)-2-methylpentan-1-one
CID 43160032
2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one
CID 46307484

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one?
The IUPAC name of 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one (CID 46307345) is 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one.
What is the SMILES notation for 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one?
The canonical SMILES for 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one is CCCC(Oc1ccccc1N)C(=O)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one?
The InChIKey is QFDDILILKSFGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-9-20(25-19-11-8-7-10-18(19)23)21(24)16-12-14-17(15-13-16)22(3,4)6-2/h7-8,10-15,20H,5-6,9,23H2,1-4H3.
What are the key properties of 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one?
2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one has a molecular weight of 339.48 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-one is sourced from PubChem (CID 46307345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).