5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline

C16H20N2O — CID 83961735

IUPAC5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCCCOc1ccc(C)cc1NCc1cccnc1
InChIInChI=1S/C16H20N2O/c1-3-9-19-16-7-6-13(2)10-15(16)18-12-14-5-4-8-17-11-14/h4-8,10-11,18H,3,9,12H2,1-2H3
InChIKeyWRHVHKREJJJOQI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.79
Rot. Bonds6

About 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline

5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline (PubChem CID 83961735) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
PubChem CID83961735
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCCCOc1ccc(C)cc1NCc1cccnc1
InChIInChI=1S/C16H20N2O/c1-3-9-19-16-7-6-13(2)10-15(16)18-12-14-5-4-8-17-11-14/h4-8,10-11,18H,3,9,12H2,1-2H3
InChIKeyWRHVHKREJJJOQI-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 60935301
2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline
CID 83961694
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43425876
N,5-dimethyl-2-propoxyaniline
CID 82263415
2-(5-methyl-2-propoxyanilino)ethanethiol
CID 83961741
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 27266270
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
2-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)aniline
CID 54864920
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline (CID 83961735) is 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline is CCCOc1ccc(C)cc1NCc1cccnc1.
What is the InChIKey of 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is WRHVHKREJJJOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-9-19-16-7-6-13(2)10-15(16)18-12-14-5-4-8-17-11-14/h4-8,10-11,18H,3,9,12H2,1-2H3.
What are the key properties of 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline?
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 256.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 83961735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).