[(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium

C17H19ClNO2+ — CID 6934710

IUPAC[(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
SMILES[NH3+][C@@H](CCc1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H18ClNO2/c18-14-4-2-1-3-12(14)5-7-15(19)13-6-8-16-17(11-13)21-10-9-20-16/h1-4,6,8,11,15H,5,7,9-10,19H2/p+1/t15-/m0/s1
InChIKeyPXQCFNWBPKTEEW-HNNXBMFYSA-O
MW304.80 g/mol
LogP3.03
Rot. Bonds4

About [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium

[(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium (PubChem CID 6934710) has the molecular formula C17H19ClNO2+ and a molecular weight of 304.80 g/mol. Its IUPAC name is [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium.

Molecular Properties

Compound Name[(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
PubChem CID6934710
Molecular FormulaC17H19ClNO2+
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name[(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
SMILES[NH3+][C@@H](CCc1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H18ClNO2/c18-14-4-2-1-3-12(14)5-7-15(19)13-6-8-16-17(11-13)21-10-9-20-16/h1-4,6,8,11,15H,5,7,9-10,19H2/p+1/t15-/m0/s1
InChIKeyPXQCFNWBPKTEEW-HNNXBMFYSA-O
XLogP3.03
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
CID 6934712
3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-amine
CID 2825472
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]azanium
CID 6934705
[(1S)-1,3-bis(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium
CID 7195788
2-(2-chlorophenyl)-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]acetamide
CID 124892016
6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434010
2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61047739
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 36913411
1-(2,6-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483343
2-chloro-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,2-trifluoroethyl]benzamide
CID 51925040
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
CID 25273117

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium?
The IUPAC name of [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium (CID 6934710) is [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium.
What is the SMILES notation for [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium?
The canonical SMILES for [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium is [NH3+][C@@H](CCc1ccccc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium?
The InChIKey is PXQCFNWBPKTEEW-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H18ClNO2/c18-14-4-2-1-3-12(14)5-7-15(19)13-6-8-16-17(11-13)21-10-9-20-16/h1-4,6,8,11,15H,5,7,9-10,19H2/p+1/t15-/m0/s1.
What are the key properties of [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium?
[(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium has a molecular weight of 304.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]azanium is sourced from PubChem (CID 6934710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).