3-methoxy-5-(4-propylphenoxy)aniline

C16H19NO2 — CID 80749252

IUPAC3-methoxy-5-(4-propylphenoxy)aniline
SMILESCCCc1ccc(Oc2cc(N)cc(OC)c2)cc1
InChIInChI=1S/C16H19NO2/c1-3-4-12-5-7-14(8-6-12)19-16-10-13(17)9-15(11-16)18-2/h5-11H,3-4,17H2,1-2H3
InChIKeyLPBQSLQVPRCRQT-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.02
Rot. Bonds5

About 3-methoxy-5-(4-propylphenoxy)aniline

3-methoxy-5-(4-propylphenoxy)aniline (PubChem CID 80749252) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-methoxy-5-(4-propylphenoxy)aniline.

Molecular Properties

Compound Name3-methoxy-5-(4-propylphenoxy)aniline
PubChem CID80749252
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-methoxy-5-(4-propylphenoxy)aniline
SMILESCCCc1ccc(Oc2cc(N)cc(OC)c2)cc1
InChIInChI=1S/C16H19NO2/c1-3-4-12-5-7-14(8-6-12)19-16-10-13(17)9-15(11-16)18-2/h5-11H,3-4,17H2,1-2H3
InChIKeyLPBQSLQVPRCRQT-UHFFFAOYSA-N
XLogP4.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.02
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

1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171
3-(4-butylphenoxy)-5-methylaniline
CID 112648538
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
ethane;1-methoxy-4-propylbenzene
CID 142085762
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
3-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304
1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871054
2-[4-(3-methoxy-5-nitrophenoxy)phenyl]ethanamine
CID 80742831
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
CID 29030576

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-propylphenoxy)aniline?
The IUPAC name of 3-methoxy-5-(4-propylphenoxy)aniline (CID 80749252) is 3-methoxy-5-(4-propylphenoxy)aniline.
What is the SMILES notation for 3-methoxy-5-(4-propylphenoxy)aniline?
The canonical SMILES for 3-methoxy-5-(4-propylphenoxy)aniline is CCCc1ccc(Oc2cc(N)cc(OC)c2)cc1.
What is the InChIKey of 3-methoxy-5-(4-propylphenoxy)aniline?
The InChIKey is LPBQSLQVPRCRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-4-12-5-7-14(8-6-12)19-16-10-13(17)9-15(11-16)18-2/h5-11H,3-4,17H2,1-2H3.
What are the key properties of 3-methoxy-5-(4-propylphenoxy)aniline?
3-methoxy-5-(4-propylphenoxy)aniline has a molecular weight of 257.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-propylphenoxy)aniline is sourced from PubChem (CID 80749252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).