[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone

C19H16N2O2 — CID 159196325

IUPAC[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone
SMILESNc1ccc(Oc2ccccc2C(=O)c2ccccc2)c(N)c1
InChIInChI=1S/C19H16N2O2/c20-14-10-11-18(16(21)12-14)23-17-9-5-4-8-15(17)19(22)13-6-2-1-3-7-13/h1-12H,20-21H2
InChIKeyKOSAQOATXMFHLP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.87
Rot. Bonds4

About [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone

[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone (PubChem CID 159196325) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone
PubChem CID159196325
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone
SMILESNc1ccc(Oc2ccccc2C(=O)c2ccccc2)c(N)c1
InChIInChI=1S/C19H16N2O2/c20-14-10-11-18(16(21)12-14)23-17-9-5-4-8-15(17)19(22)13-6-2-1-3-7-13/h1-12H,20-21H2
InChIKeyKOSAQOATXMFHLP-UHFFFAOYSA-N
XLogP3.87
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152
[2-(2-bromophenoxy)phenyl]-phenylmethanone
CID 70097851
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
(2-aminophenyl)-phenylmethanone
CID 158207972
4-amino-2-benzoylbenzoic acid
CID 21494601
4-[3-[2,3-bis(2,4-diaminophenoxy)phenoxy]-2-(2,4-diaminophenoxy)phenoxy]benzene-1,3-diamine
CID 174723644
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
CID 174895889
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
CID 67943677

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone (CID 159196325) is [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone is Nc1ccc(Oc2ccccc2C(=O)c2ccccc2)c(N)c1.
What is the InChIKey of [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone?
The InChIKey is KOSAQOATXMFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c20-14-10-11-18(16(21)12-14)23-17-9-5-4-8-15(17)19(22)13-6-2-1-3-7-13/h1-12H,20-21H2.
What are the key properties of [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone?
[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone has a molecular weight of 304.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-diaminophenoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 159196325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).