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

C15H14ClNO2 — CID 43583497

IUPAC2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
SMILESClc1ccccc1NCc1cccc2c1OCCO2
InChIInChI=1S/C15H14ClNO2/c16-12-5-1-2-6-13(12)17-10-11-4-3-7-14-15(11)19-9-8-18-14/h1-7,17H,8-10H2
InChIKeySHGIBISJRVJZKL-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.72
Rot. Bonds3

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

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline (PubChem CID 43583497) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
PubChem CID43583497
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
SMILESClc1ccccc1NCc1cccc2c1OCCO2
InChIInChI=1S/C15H14ClNO2/c16-12-5-1-2-6-13(12)17-10-11-4-3-7-14-15(11)19-9-8-18-14/h1-7,17H,8-10H2
InChIKeySHGIBISJRVJZKL-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583856
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzonitrile
CID 43583479
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
CID 81374034
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-iodoaniline
CID 107631640
(1R)-1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
CID 81374221
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2,3,4-trifluoroaniline
CID 43583395
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyridin-3-amine
CID 79041608
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779
2,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
CID 43736621
1-(2-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)ethanol
CID 111448954
3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4-methylaniline
CID 43583335
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583494

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline (CID 43583497) is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline is Clc1ccccc1NCc1cccc2c1OCCO2.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline?
The InChIKey is SHGIBISJRVJZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-12-5-1-2-6-13(12)17-10-11-4-3-7-14-15(11)19-9-8-18-14/h1-7,17H,8-10H2.
What are the key properties of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline?
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline has a molecular weight of 275.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline is sourced from PubChem (CID 43583497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).