3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline

C19H22N2O — CID 22669700

IUPAC3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline
SMILESCc1cc(N)cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1
InChIInChI=1S/C19H22N2O/c1-11(2)17-10-21-18-6-5-15(9-16(17)18)22-19-12(3)7-14(20)8-13(19)4/h5-11,21H,20H2,1-4H3
InChIKeyXUPRWRWLSJDBSL-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.28
Rot. Bonds3

About 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline

3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline (PubChem CID 22669700) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline.

Molecular Properties

Compound Name3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline
PubChem CID22669700
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline
SMILESCc1cc(N)cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1
InChIInChI=1S/C19H22N2O/c1-11(2)17-10-21-18-6-5-15(9-16(17)18)22-19-12(3)7-14(20)8-13(19)4/h5-11,21H,20H2,1-4H3
InChIKeyXUPRWRWLSJDBSL-UHFFFAOYSA-N
XLogP5.28
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-1H-indol-5-amine
CID 90162786
3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid
CID 22669412
N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide
CID 142086189
5-[4-(bromomethyl)-2,6-dichlorophenoxy]-3-propan-2-yl-1H-indole
CID 22669624
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
3-[3-chloro-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid
CID 22669463
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
3-propan-2-yl-1H-indol-6-amine
CID 45117013
3-methyl-5-phenoxy-1H-indole
CID 82494590
5-ethoxy-3-methyl-1H-indole
CID 82490542
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
CID 175942491

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline?
The IUPAC name of 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline (CID 22669700) is 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline.
What is the SMILES notation for 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline?
The canonical SMILES for 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline is Cc1cc(N)cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1.
What is the InChIKey of 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline?
The InChIKey is XUPRWRWLSJDBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-11(2)17-10-21-18-6-5-15(9-16(17)18)22-19-12(3)7-14(20)8-13(19)4/h5-11,21H,20H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline?
3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline has a molecular weight of 294.40 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline is sourced from PubChem (CID 22669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).