1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone

C15H14ClNO2 — CID 82064162

IUPAC1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(Cl)c2)c(N)c1
InChIInChI=1S/C15H14ClNO2/c1-10(18)12-5-6-15(14(17)8-12)19-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3
InChIKeyPRSFSSALFOEAQJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.70
Rot. Bonds4

About 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone

1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone (PubChem CID 82064162) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
PubChem CID82064162
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(Cl)c2)c(N)c1
InChIInChI=1S/C15H14ClNO2/c1-10(18)12-5-6-15(14(17)8-12)19-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3
InChIKeyPRSFSSALFOEAQJ-UHFFFAOYSA-N
XLogP3.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.70
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-amino-4-[(3-chlorophenyl)methoxy]phenyl]butan-1-one
CID 82064262
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
1-[3-amino-4-[2-(4-chlorophenoxy)ethoxy]phenyl]ethanone
CID 93212295
(2S)-2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid;1-(4-aminophenyl)ethanone
CID 70092414
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone (CID 82064162) is 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cccc(Cl)c2)c(N)c1.
What is the InChIKey of 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone?
The InChIKey is PRSFSSALFOEAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10(18)12-5-6-15(14(17)8-12)19-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3.
What are the key properties of 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone?
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone has a molecular weight of 275.74 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 82064162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).