4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline

C16H19ClN2O — CID 145279916

IUPAC4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline
SMILESCNc1ccc(OC(C)(C)c2nc(C)ccc2Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-11-5-10-14(17)15(19-11)16(2,3)20-13-8-6-12(18-4)7-9-13/h5-10,18H,1-4H3
InChIKeyWYXUMRXNXORKBC-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.40
Rot. Bonds4

About 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline

4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline (PubChem CID 145279916) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline.

Molecular Properties

Compound Name4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline
PubChem CID145279916
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline
SMILESCNc1ccc(OC(C)(C)c2nc(C)ccc2Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-11-5-10-14(17)15(19-11)16(2,3)20-13-8-6-12(18-4)7-9-13/h5-10,18H,1-4H3
InChIKeyWYXUMRXNXORKBC-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.40
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

ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline
CID 61027583
4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline
CID 145279951
4-(4-tert-butylphenoxy)-N-methylaniline
CID 83549428
N-[(6-methyl-2-pyridinyl)methyl]-4-(trifluoromethoxy)aniline
CID 79267587
3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 82893507
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-N-methylaniline
CID 62859687
3,4-dichloro-N-methylaniline;formaldehyde
CID 153392117
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
3-chloro-2-ethynyl-6-methylpyridine
CID 74888831
2-N-tert-butyl-4-N-[4-[chloro(difluoro)methoxy]phenyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 1279309
4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline
CID 65168743

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline?
The IUPAC name of 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline (CID 145279916) is 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline.
What is the SMILES notation for 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline?
The canonical SMILES for 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline is CNc1ccc(OC(C)(C)c2nc(C)ccc2Cl)cc1.
What is the InChIKey of 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline?
The InChIKey is WYXUMRXNXORKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-5-10-14(17)15(19-11)16(2,3)20-13-8-6-12(18-4)7-9-13/h5-10,18H,1-4H3.
What are the key properties of 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline?
4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline has a molecular weight of 290.79 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline is sourced from PubChem (CID 145279916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).