2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline

C16H20N2O — CID 65216967

IUPAC2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline
SMILESCc1cc(Oc2ccncc2C)c(C(C)C)cc1N
InChIInChI=1S/C16H20N2O/c1-10(2)13-8-14(17)11(3)7-16(13)19-15-5-6-18-9-12(15)4/h5-10H,17H2,1-4H3
InChIKeyKRBJPNRBNZVIRZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.20
Rot. Bonds3

About 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline

2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline (PubChem CID 65216967) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline
PubChem CID65216967
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline
SMILESCc1cc(Oc2ccncc2C)c(C(C)C)cc1N
InChIInChI=1S/C16H20N2O/c1-10(2)13-8-14(17)11(3)7-16(13)19-15-5-6-18-9-12(15)4/h5-10H,17H2,1-4H3
InChIKeyKRBJPNRBNZVIRZ-UHFFFAOYSA-N
XLogP4.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.20
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

4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
CID 79841207
2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline
CID 65216802
4-(5-chloropyrimidin-4-yl)oxy-2-methyl-5-propan-2-ylaniline
CID 105369793
4-(5-iodopyrimidin-4-yl)oxy-2-methyl-5-propan-2-ylaniline
CID 66339755
3-methyl-4-(4-propan-2-ylphenoxy)pyridine
CID 121004835
2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 65217084
2-methyl-5-propan-2-yl-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
CID 114449809
4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
CID 65365399
4-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylaniline
CID 65216740
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 65216690
2,6-dimethyl-3-[(3-methyl-4-pyridinyl)oxy]pyridine
CID 145135552
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline?
The IUPAC name of 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline (CID 65216967) is 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline?
The canonical SMILES for 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline is Cc1cc(Oc2ccncc2C)c(C(C)C)cc1N.
What is the InChIKey of 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline?
The InChIKey is KRBJPNRBNZVIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10(2)13-8-14(17)11(3)7-16(13)19-15-5-6-18-9-12(15)4/h5-10H,17H2,1-4H3.
What are the key properties of 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline?
2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline has a molecular weight of 256.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline is sourced from PubChem (CID 65216967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).