4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline

C24H27NO3 — CID 58329207

IUPAC4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline
SMILESCOc1ccc(C(C)c2cc(C)c(C)c(OC)c2)cc1Oc1ccc(N)cc1
InChIInChI=1S/C24H27NO3/c1-15-12-19(14-23(27-5)16(15)2)17(3)18-6-11-22(26-4)24(13-18)28-21-9-7-20(25)8-10-21/h6-14,17H,25H2,1-5H3
InChIKeyGSEXSFSPGQKPEY-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.85
Rot. Bonds6

About 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline

4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline (PubChem CID 58329207) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline
PubChem CID58329207
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline
SMILESCOc1ccc(C(C)c2cc(C)c(C)c(OC)c2)cc1Oc1ccc(N)cc1
InChIInChI=1S/C24H27NO3/c1-15-12-19(14-23(27-5)16(15)2)17(3)18-6-11-22(26-4)24(13-18)28-21-9-7-20(25)8-10-21/h6-14,17H,25H2,1-5H3
InChIKeyGSEXSFSPGQKPEY-UHFFFAOYSA-N
XLogP5.85
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate
CID 58329180
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline
CID 58329222
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline
CID 22237122
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline?
The IUPAC name of 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline (CID 58329207) is 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline.
What is the SMILES notation for 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline?
The canonical SMILES for 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline is COc1ccc(C(C)c2cc(C)c(C)c(OC)c2)cc1Oc1ccc(N)cc1.
What is the InChIKey of 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline?
The InChIKey is GSEXSFSPGQKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-15-12-19(14-23(27-5)16(15)2)17(3)18-6-11-22(26-4)24(13-18)28-21-9-7-20(25)8-10-21/h6-14,17H,25H2,1-5H3.
What are the key properties of 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline?
4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline has a molecular weight of 377.48 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline is sourced from PubChem (CID 58329207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).