4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline

C15H18N2O — CID 122394146

IUPAC4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
SMILESCOc1ccc(NC(C)Cc2ccccn2)cc1
InChIInChI=1S/C15H18N2O/c1-12(11-14-5-3-4-10-16-14)17-13-6-8-15(18-2)9-7-13/h3-10,12,17H,11H2,1-2H3
InChIKeyJVPGEZXFSSOWNB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.13
Rot. Bonds5

About 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline

4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline (PubChem CID 122394146) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
PubChem CID122394146
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
SMILESCOc1ccc(NC(C)Cc2ccccn2)cc1
InChIInChI=1S/C15H18N2O/c1-12(11-14-5-3-4-10-16-14)17-13-6-8-15(18-2)9-7-13/h3-10,12,17H,11H2,1-2H3
InChIKeyJVPGEZXFSSOWNB-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
CID 82084085
2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 132915461
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
5-N-[1-(4-methoxyphenyl)propan-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690659
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
[1-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105200033
6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 51597055
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 166248435

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline?
The IUPAC name of 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline (CID 122394146) is 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline is COc1ccc(NC(C)Cc2ccccn2)cc1.
What is the InChIKey of 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline?
The InChIKey is JVPGEZXFSSOWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(11-14-5-3-4-10-16-14)17-13-6-8-15(18-2)9-7-13/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline?
4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline has a molecular weight of 242.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 122394146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).