4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline

C17H21NO3 — CID 83005064

IUPAC4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
SMILESCOc1cc(N)c(Oc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-11(2)12-5-7-13(8-6-12)21-15-10-17(20-4)16(19-3)9-14(15)18/h5-11H,18H2,1-4H3
InChIKeyKMODXQFMXJJKLK-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.20
Rot. Bonds5

About 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline

4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline (PubChem CID 83005064) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
PubChem CID83005064
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
SMILESCOc1cc(N)c(Oc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C17H21NO3/c1-11(2)12-5-7-13(8-6-12)21-15-10-17(20-4)16(19-3)9-14(15)18/h5-11H,18H2,1-4H3
InChIKeyKMODXQFMXJJKLK-UHFFFAOYSA-N
XLogP4.20
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-phenoxyaniline
CID 83008509
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696
bis[3-amino-4-(4-propan-2-ylphenoxy)phenyl]methanone
CID 139784246
5-methylsulfonyl-2-(4-propan-2-ylphenoxy)aniline
CID 43448136
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
CID 83005076
5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline
CID 166073803
4,5-dimethoxy-2-pyridin-3-yloxyaniline
CID 83008307

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline?
The IUPAC name of 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline (CID 83005064) is 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline?
The canonical SMILES for 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline is COc1cc(N)c(Oc2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline?
The InChIKey is KMODXQFMXJJKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(2)12-5-7-13(8-6-12)21-15-10-17(20-4)16(19-3)9-14(15)18/h5-11H,18H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline?
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline has a molecular weight of 287.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 83005064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).