1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one

C16H17NO2 — CID 174428034

IUPAC1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(OCc2cccc(N)c2)c1
InChIInChI=1S/C16H17NO2/c1-2-16(18)13-6-4-8-15(10-13)19-11-12-5-3-7-14(17)9-12/h3-10H,2,11,17H2,1H3
InChIKeyWAPGVYWEMGNHOO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.44
Rot. Bonds5

About 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one

1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one (PubChem CID 174428034) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
PubChem CID174428034
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(OCc2cccc(N)c2)c1
InChIInChI=1S/C16H17NO2/c1-2-16(18)13-6-4-8-15(10-13)19-11-12-5-3-7-14(17)9-12/h3-10H,2,11,17H2,1H3
InChIKeyWAPGVYWEMGNHOO-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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Related Compounds

1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one
CID 114079103
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
5-[3-[(3-aminophenyl)methoxy]phenyl]-4-(2-methylphenyl)-5-oxopentanoic acid
CID 22010320
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one (CID 174428034) is 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1cccc(OCc2cccc(N)c2)c1.
What is the InChIKey of 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one?
The InChIKey is WAPGVYWEMGNHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-16(18)13-6-4-8-15(10-13)19-11-12-5-3-7-14(17)9-12/h3-10H,2,11,17H2,1H3.
What are the key properties of 1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one?
1-[3-[(3-aminophenyl)methoxy]phenyl]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-[(3-aminophenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 174428034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).