N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline

C16H20N2O2 — CID 114936575

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline
SMILESCOc1ccc(CNc2ccccc2OC(C)C)cn1
InChIInChI=1S/C16H20N2O2/c1-12(2)20-15-7-5-4-6-14(15)17-10-13-8-9-16(19-3)18-11-13/h4-9,11-12,17H,10H2,1-3H3
InChIKeyQXUOYKCQOQOFBG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.49
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline

N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline (PubChem CID 114936575) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline
PubChem CID114936575
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline
SMILESCOc1ccc(CNc2ccccc2OC(C)C)cn1
InChIInChI=1S/C16H20N2O2/c1-12(2)20-15-7-5-4-6-14(15)17-10-13-8-9-16(19-3)18-11-13/h4-9,11-12,17H,10H2,1-3H3
InChIKeyQXUOYKCQOQOFBG-UHFFFAOYSA-N
XLogP3.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936614
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
4-[(2-propan-2-yloxyanilino)methyl]benzene-1,2-diol
CID 43739197
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936418

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline (CID 114936575) is N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline is COc1ccc(CNc2ccccc2OC(C)C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline?
The InChIKey is QXUOYKCQOQOFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)20-15-7-5-4-6-14(15)17-10-13-8-9-16(19-3)18-11-13/h4-9,11-12,17H,10H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline?
N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline has a molecular weight of 272.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 114936575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).