4-(3-phenylmethoxyphenoxy)aniline

C19H17NO2 — CID 89036367

IUPAC4-(3-phenylmethoxyphenoxy)aniline
SMILESNc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C19H17NO2/c20-16-9-11-17(12-10-16)22-19-8-4-7-18(13-19)21-14-15-5-2-1-3-6-15/h1-13H,14,20H2
InChIKeyIWERYPQRSQVULP-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.64
Rot. Bonds5

About 4-(3-phenylmethoxyphenoxy)aniline

4-(3-phenylmethoxyphenoxy)aniline (PubChem CID 89036367) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(3-phenylmethoxyphenoxy)aniline.

Molecular Properties

Compound Name4-(3-phenylmethoxyphenoxy)aniline
PubChem CID89036367
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-(3-phenylmethoxyphenoxy)aniline
SMILESNc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C19H17NO2/c20-16-9-11-17(12-10-16)22-19-8-4-7-18(13-19)21-14-15-5-2-1-3-6-15/h1-13H,14,20H2
InChIKeyIWERYPQRSQVULP-UHFFFAOYSA-N
XLogP4.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
4-phenylmethoxyaniline
CID 159966727
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-(phenoxymethyl)aniline
CID 12712561
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
4-phenoxyaniline
CID 158390066
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027
5-methoxy-2-(3-phenylmethoxyphenoxy)aniline
CID 166611417
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxyphenoxy)aniline?
The IUPAC name of 4-(3-phenylmethoxyphenoxy)aniline (CID 89036367) is 4-(3-phenylmethoxyphenoxy)aniline.
What is the SMILES notation for 4-(3-phenylmethoxyphenoxy)aniline?
The canonical SMILES for 4-(3-phenylmethoxyphenoxy)aniline is Nc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-(3-phenylmethoxyphenoxy)aniline?
The InChIKey is IWERYPQRSQVULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c20-16-9-11-17(12-10-16)22-19-8-4-7-18(13-19)21-14-15-5-2-1-3-6-15/h1-13H,14,20H2.
What are the key properties of 4-(3-phenylmethoxyphenoxy)aniline?
4-(3-phenylmethoxyphenoxy)aniline has a molecular weight of 291.35 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxyphenoxy)aniline is sourced from PubChem (CID 89036367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).