N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine

C14H13ClN2O2 — CID 136512199

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine
SMILESCN(Cc1ccc2c(c1)OCO2)c1ccnc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-17(11-4-5-16-14(15)7-11)8-10-2-3-12-13(6-10)19-9-18-12/h2-7H,8-9H2,1H3
InChIKeyLFSKIVAKNQPFNY-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.10
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine (PubChem CID 136512199) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine
PubChem CID136512199
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine
SMILESCN(Cc1ccc2c(c1)OCO2)c1ccnc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-17(11-4-5-16-14(15)7-11)8-10-2-3-12-13(6-10)19-9-18-12/h2-7H,8-9H2,1H3
InChIKeyLFSKIVAKNQPFNY-UHFFFAOYSA-N
XLogP3.10
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 133282362
N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211009
N-(1,3-benzodioxol-5-yl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211107
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
[4-[(4-chlorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 61415178
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 35359994
1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylmethanamine
CID 47010663
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
CID 66188232

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine (CID 136512199) is N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine is CN(Cc1ccc2c(c1)OCO2)c1ccnc(Cl)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine?
The InChIKey is LFSKIVAKNQPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(11-4-5-16-14(15)7-11)8-10-2-3-12-13(6-10)19-9-18-12/h2-7H,8-9H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine has a molecular weight of 276.72 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylpyridin-4-amine is sourced from PubChem (CID 136512199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).