N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine

C14H14N2O2 — CID 55202653

IUPACN-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine
SMILESCc1ccncc1NCc1cccc2c1OCO2
InChIInChI=1S/C14H14N2O2/c1-10-5-6-15-8-12(10)16-7-11-3-2-4-13-14(11)18-9-17-13/h2-6,8,16H,7,9H2,1H3
InChIKeyGKGOVEWVKQJPJJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.73
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine

N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine (PubChem CID 55202653) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine
PubChem CID55202653
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine
SMILESCc1ccncc1NCc1cccc2c1OCO2
InChIInChI=1S/C14H14N2O2/c1-10-5-6-15-8-12(10)16-7-11-3-2-4-13-14(11)18-9-17-13/h2-6,8,16H,7,9H2,1H3
InChIKeyGKGOVEWVKQJPJJ-UHFFFAOYSA-N
XLogP2.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
N-(1,3-benzodioxol-4-ylmethyl)-2-methylsulfanylaniline
CID 43683316
N-(1,3-benzodioxol-4-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114383227
1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine
CID 163366717
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine
CID 79041608
4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
2-(1,3-benzodioxol-4-ylmethylamino)-4-methylbenzonitrile
CID 62307446
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
N-(1,3-benzodioxol-4-ylmethyl)-1H-pyrazol-4-amine
CID 43583965
N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine
CID 107234328
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine (CID 55202653) is N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine is Cc1ccncc1NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine?
The InChIKey is GKGOVEWVKQJPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-5-6-15-8-12(10)16-7-11-3-2-4-13-14(11)18-9-17-13/h2-6,8,16H,7,9H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine?
N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine has a molecular weight of 242.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine is sourced from PubChem (CID 55202653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).