2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine

C17H18ClNO2 — CID 62503751

IUPAC2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cccc2c1OCCO2
InChIInChI=1S/C17H18ClNO2/c1-19-15(11-12-4-2-5-13(18)10-12)14-6-3-7-16-17(14)21-9-8-20-16/h2-7,10,15,19H,8-9,11H2,1H3
InChIKeyVGHLEKIESZQRBL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.61
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine

2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine (PubChem CID 62503751) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
PubChem CID62503751
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cccc2c1OCCO2
InChIInChI=1S/C17H18ClNO2/c1-19-15(11-12-4-2-5-13(18)10-12)14-6-3-7-16-17(14)21-9-8-20-16/h2-7,10,15,19H,8-9,11H2,1H3
InChIKeyVGHLEKIESZQRBL-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
N-[(3-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]ethanamine
CID 105106296
2-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 55187555
1-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylmethanamine
CID 105099430
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
5-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63542434
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 114821301
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310293
1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 63507542
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine (CID 62503751) is 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)c1cccc2c1OCCO2.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine?
The InChIKey is VGHLEKIESZQRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19-15(11-12-4-2-5-13(18)10-12)14-6-3-7-16-17(14)21-9-8-20-16/h2-7,10,15,19H,8-9,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine?
2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine has a molecular weight of 303.79 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine is sourced from PubChem (CID 62503751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).