3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline

C19H15Cl2NO2 — CID 68750908

IUPAC3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline
SMILESCOc1ccc(Oc2c(Cl)cc(N)cc2Cl)cc1-c1ccccc1
InChIInChI=1S/C19H15Cl2NO2/c1-23-18-8-7-14(11-15(18)12-5-3-2-4-6-12)24-19-16(20)9-13(22)10-17(19)21/h2-11H,22H2,1H3
InChIKeyFRIZZLOWHVIBGF-UHFFFAOYSA-N
MW360.24 g/mol
LogP6.04
Rot. Bonds4

About 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline

3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline (PubChem CID 68750908) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline
PubChem CID68750908
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Name3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline
SMILESCOc1ccc(Oc2c(Cl)cc(N)cc2Cl)cc1-c1ccccc1
InChIInChI=1S/C19H15Cl2NO2/c1-23-18-8-7-14(11-15(18)12-5-3-2-4-6-12)24-19-16(20)9-13(22)10-17(19)21/h2-11H,22H2,1H3
InChIKeyFRIZZLOWHVIBGF-UHFFFAOYSA-N
XLogP6.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 56.04
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

4-(3-benzyl-4-methoxyphenoxy)-3,5-dichloroaniline
CID 129199019
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
ethyl 2-[N-[3,5-bis(trifluoromethyl)benzoyl]-3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)anilino]acetate
CID 91049612
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
5-amino-3-chloro-2-(4-methoxyphenoxy)benzoic acid
CID 107197281
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
3-methoxy-4-(4-phenoxyphenyl)aniline
CID 57279676
4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline
CID 63675956
4-(4-amino-3-phenylphenoxy)-2-phenylaniline
CID 69279475

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline?
The IUPAC name of 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline (CID 68750908) is 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline.
What is the SMILES notation for 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline?
The canonical SMILES for 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline is COc1ccc(Oc2c(Cl)cc(N)cc2Cl)cc1-c1ccccc1.
What is the InChIKey of 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline?
The InChIKey is FRIZZLOWHVIBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c1-23-18-8-7-14(11-15(18)12-5-3-2-4-6-12)24-19-16(20)9-13(22)10-17(19)21/h2-11H,22H2,1H3.
What are the key properties of 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline?
3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline has a molecular weight of 360.24 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline is sourced from PubChem (CID 68750908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).