2-phenoxy-3-phenylaniline

C18H15NO — CID 68786698

IUPAC2-phenoxy-3-phenylaniline
SMILESNc1cccc(-c2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C18H15NO/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)20-15-10-5-2-6-11-15/h1-13H,19H2
InChIKeyDIJCQJNGLZKMRQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.73
Rot. Bonds3

About 2-phenoxy-3-phenylaniline

2-phenoxy-3-phenylaniline (PubChem CID 68786698) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-phenoxy-3-phenylaniline.

Molecular Properties

Compound Name2-phenoxy-3-phenylaniline
PubChem CID68786698
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-phenoxy-3-phenylaniline
SMILESNc1cccc(-c2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C18H15NO/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)20-15-10-5-2-6-11-15/h1-13H,19H2
InChIKeyDIJCQJNGLZKMRQ-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-2-phenoxyaniline
CID 68785952
3-[2-(3-amino-2-phenoxyphenyl)-3-phenoxyphenyl]-2-phenoxyaniline
CID 21260889
3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine
CID 139931817
3-phenyl-2-(trifluoromethoxy)aniline
CID 68852161
2-phenoxy-1-[2-phenoxy-3-(2-phenylphenyl)phenoxy]-3-(2-phenylphenyl)benzene
CID 172810146
2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
3-phenylbenzene-1,2-diamine
CID 18968019
O-(2,6-diphenylphenyl)hydroxylamine
CID 146317858
2-phenylaniline;hydrochloride
CID 5284347
palladium(2+);2-phenylaniline
CID 175718665
CID 159962191
CID 159962191
4-(2,6-diphenylphenoxy)benzoic acid
CID 139330345

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-3-phenylaniline?
The IUPAC name of 2-phenoxy-3-phenylaniline (CID 68786698) is 2-phenoxy-3-phenylaniline.
What is the SMILES notation for 2-phenoxy-3-phenylaniline?
The canonical SMILES for 2-phenoxy-3-phenylaniline is Nc1cccc(-c2ccccc2)c1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-3-phenylaniline?
The InChIKey is DIJCQJNGLZKMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)20-15-10-5-2-6-11-15/h1-13H,19H2.
What are the key properties of 2-phenoxy-3-phenylaniline?
2-phenoxy-3-phenylaniline has a molecular weight of 261.32 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-3-phenylaniline is sourced from PubChem (CID 68786698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).