1-(3-amino-5-phenylmethoxyphenyl)propan-1-one

C16H17NO2 — CID 174330625

IUPAC1-(3-amino-5-phenylmethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(N)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-2-16(18)13-8-14(17)10-15(9-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3
InChIKeyORTFEKBFAFTSQA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.44
Rot. Bonds5

About 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one

1-(3-amino-5-phenylmethoxyphenyl)propan-1-one (PubChem CID 174330625) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-5-phenylmethoxyphenyl)propan-1-one
PubChem CID174330625
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(3-amino-5-phenylmethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(N)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-2-16(18)13-8-14(17)10-15(9-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3
InChIKeyORTFEKBFAFTSQA-UHFFFAOYSA-N
XLogP3.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one (CID 174330625) is 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one is CCC(=O)c1cc(N)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one?
The InChIKey is ORTFEKBFAFTSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-16(18)13-8-14(17)10-15(9-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11,17H2,1H3.
What are the key properties of 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one?
1-(3-amino-5-phenylmethoxyphenyl)propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 174330625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).