(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine

C15H13Cl2NO2 — CID 105141805

IUPAC(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
SMILESNC(c1cccc(Cl)c1Cl)c1cccc2c1OCCO2
InChIInChI=1S/C15H13Cl2NO2/c16-11-5-1-3-9(13(11)17)14(18)10-4-2-6-12-15(10)20-8-7-19-12/h1-6,14H,7-8,18H2
InChIKeySUIACIIMCIMOBQ-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.81
Rot. Bonds2

About (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine

(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine (PubChem CID 105141805) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
PubChem CID105141805
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
SMILESNC(c1cccc(Cl)c1Cl)c1cccc2c1OCCO2
InChIInChI=1S/C15H13Cl2NO2/c16-11-5-1-3-9(13(11)17)14(18)10-4-2-6-12-15(10)20-8-7-19-12/h1-6,14H,7-8,18H2
InChIKeySUIACIIMCIMOBQ-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydrazine
CID 105301665
(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105076308
(3-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 107361835
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 102866888
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105183679
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
1-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylmethanamine
CID 105099430
2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
CID 105142758
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81453802

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine (CID 105141805) is (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine is NC(c1cccc(Cl)c1Cl)c1cccc2c1OCCO2.
What is the InChIKey of (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
The InChIKey is SUIACIIMCIMOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-11-5-1-3-9(13(11)17)14(18)10-4-2-6-12-15(10)20-8-7-19-12/h1-6,14H,7-8,18H2.
What are the key properties of (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine?
(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine has a molecular weight of 310.18 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine is sourced from PubChem (CID 105141805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).