N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine

C15H16N2O2 — CID 79041608

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NCc1cccc2c1OCCO2
InChIInChI=1S/C15H16N2O2/c1-11-13(5-3-7-16-11)17-10-12-4-2-6-14-15(12)19-9-8-18-14/h2-7,17H,8-10H2,1H3
InChIKeyZTJOQAWUZHQHPA-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.77
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine (PubChem CID 79041608) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine
PubChem CID79041608
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NCc1cccc2c1OCCO2
InChIInChI=1S/C15H16N2O2/c1-11-13(5-3-7-16-11)17-10-12-4-2-6-14-15(12)19-9-8-18-14/h2-7,17H,8-10H2,1H3
InChIKeyZTJOQAWUZHQHPA-UHFFFAOYSA-N
XLogP2.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
CID 43583497
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine
CID 65485503
2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042521
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-fluoro-4-methylaniline
CID 43583784
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzonitrile
CID 43583479
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2,3,4-trifluoroaniline
CID 43583395
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-3-(methylsulfinylmethyl)aniline
CID 75385428
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-[(2,4-dimethylpyrimidin-5-yl)methyl]methanamine
CID 136572121
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpyridin-3-amine
CID 79041996
2,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
CID 43736621
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-fluoropyridin-3-amine
CID 103825808

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine (CID 79041608) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine is Cc1ncccc1NCc1cccc2c1OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine?
The InChIKey is ZTJOQAWUZHQHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-13(5-3-7-16-11)17-10-12-4-2-6-14-15(12)19-9-8-18-14/h2-7,17H,8-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine has a molecular weight of 256.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79041608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).