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

C15H15ClN2O2 — CID 65485503

IUPAC2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1cccc2c1OCCO2
InChIInChI=1S/C15H15ClN2O2/c1-10-5-6-17-15(16)13(10)18-9-11-3-2-4-12-14(11)20-8-7-19-12/h2-6,18H,7-9H2,1H3
InChIKeyNSJRENYLITZNCO-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.43
Rot. Bonds3

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

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine (PubChem CID 65485503) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine
PubChem CID65485503
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1cccc2c1OCCO2
InChIInChI=1S/C15H15ClN2O2/c1-10-5-6-17-15(16)13(10)18-9-11-3-2-4-12-14(11)20-8-7-19-12/h2-6,18H,7-9H2,1H3
InChIKeyNSJRENYLITZNCO-UHFFFAOYSA-N
XLogP3.43
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine
CID 79041608
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
CID 43583497
3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4-methylaniline
CID 43583335
6-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylpyrimidin-4-amine
CID 133385486
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-fluoropyridin-3-amine
CID 103825808
N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine
CID 55202653
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-methylpyrazol-4-amine
CID 43583958
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3,4-dimethylaniline
CID 43583469
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583494
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpropan-1-amine
CID 43583302
5-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63544403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine (CID 65485503) is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NCc1cccc2c1OCCO2.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine?
The InChIKey is NSJRENYLITZNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-5-6-17-15(16)13(10)18-9-11-3-2-4-12-14(11)20-8-7-19-12/h2-6,18H,7-9H2,1H3.
What are the key properties of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine?
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine has a molecular weight of 290.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-methylpyridin-3-amine is sourced from PubChem (CID 65485503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).