2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline

C16H20N2O — CID 54864900

IUPAC2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline
SMILESCC(C)COc1ccccc1NCc1ccccn1
InChIInChI=1S/C16H20N2O/c1-13(2)12-19-16-9-4-3-8-15(16)18-11-14-7-5-6-10-17-14/h3-10,13,18H,11-12H2,1-2H3
InChIKeyBEGPSKVOZJCHBM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.73
Rot. Bonds6

About 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline

2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline (PubChem CID 54864900) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline
PubChem CID54864900
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline
SMILESCC(C)COc1ccccc1NCc1ccccn1
InChIInChI=1S/C16H20N2O/c1-13(2)12-19-16-9-4-3-8-15(16)18-11-14-7-5-6-10-17-14/h3-10,13,18H,11-12H2,1-2H3
InChIKeyBEGPSKVOZJCHBM-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)aniline
CID 54864920
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-(2-methylpropoxy)aniline
CID 54800105
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 60936477
N-[[2-(2-methylpropoxy)phenyl]methyl]pyridin-2-amine
CID 133271435
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 79579422
N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 66135063
2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999278
N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline
CID 39749730
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54798124

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline (CID 54864900) is 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline is CC(C)COc1ccccc1NCc1ccccn1.
What is the InChIKey of 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is BEGPSKVOZJCHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(2)12-19-16-9-4-3-8-15(16)18-11-14-7-5-6-10-17-14/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline?
2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 256.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 54864900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).