5-methoxy-2-(1-phenylethoxy)aniline

C15H17NO2 — CID 62058742

IUPAC5-methoxy-2-(1-phenylethoxy)aniline
SMILESCOc1ccc(OC(C)c2ccccc2)c(N)c1
InChIInChI=1S/C15H17NO2/c1-11(12-6-4-3-5-7-12)18-15-9-8-13(17-2)10-14(15)16/h3-11H,16H2,1-2H3
InChIKeyAASKNKREHXXKJC-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.42
Rot. Bonds4

About 5-methoxy-2-(1-phenylethoxy)aniline

5-methoxy-2-(1-phenylethoxy)aniline (PubChem CID 62058742) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methoxy-2-(1-phenylethoxy)aniline.

Molecular Properties

Compound Name5-methoxy-2-(1-phenylethoxy)aniline
PubChem CID62058742
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-methoxy-2-(1-phenylethoxy)aniline
SMILESCOc1ccc(OC(C)c2ccccc2)c(N)c1
InChIInChI=1S/C15H17NO2/c1-11(12-6-4-3-5-7-12)18-15-9-8-13(17-2)10-14(15)16/h3-11H,16H2,1-2H3
InChIKeyAASKNKREHXXKJC-UHFFFAOYSA-N
XLogP3.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.42
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

5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline
CID 107259817
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
3-amino-N,N-dimethyl-4-(1-phenylethoxy)benzamide
CID 82993190
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
4-methoxy-2-(1-phenylethylsulfanyl)aniline
CID 79518054
2-(2-amino-4-methoxyphenoxy)pentanoic acid
CID 83037048
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
CID 104706737
2,5-di(propan-2-yloxy)aniline
CID 18997718
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256
2-methoxy-6-(1-phenylethoxy)pyridin-3-amine
CID 43262353

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1-phenylethoxy)aniline?
The IUPAC name of 5-methoxy-2-(1-phenylethoxy)aniline (CID 62058742) is 5-methoxy-2-(1-phenylethoxy)aniline.
What is the SMILES notation for 5-methoxy-2-(1-phenylethoxy)aniline?
The canonical SMILES for 5-methoxy-2-(1-phenylethoxy)aniline is COc1ccc(OC(C)c2ccccc2)c(N)c1.
What is the InChIKey of 5-methoxy-2-(1-phenylethoxy)aniline?
The InChIKey is AASKNKREHXXKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(12-6-4-3-5-7-12)18-15-9-8-13(17-2)10-14(15)16/h3-11H,16H2,1-2H3.
What are the key properties of 5-methoxy-2-(1-phenylethoxy)aniline?
5-methoxy-2-(1-phenylethoxy)aniline has a molecular weight of 243.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1-phenylethoxy)aniline is sourced from PubChem (CID 62058742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).