1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine

C16H24ClNO2 — CID 43497508

IUPAC1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc2c(cc1Cl)OCCO2)C(C)(C)C
InChIInChI=1S/C16H24ClNO2/c1-5-6-18-15(16(2,3)4)11-9-13-14(10-12(11)17)20-8-7-19-13/h9-10,15,18H,5-8H2,1-4H3
InChIKeyLKNXQYVUVPTSPN-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.20
Rot. Bonds4

About 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 43497508) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID43497508
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc2c(cc1Cl)OCCO2)C(C)(C)C
InChIInChI=1S/C16H24ClNO2/c1-5-6-18-15(16(2,3)4)11-9-13-14(10-12(11)17)20-8-7-19-13/h9-10,15,18H,5-8H2,1-4H3
InChIKeyLKNXQYVUVPTSPN-UHFFFAOYSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-propylpentan-1-amine
CID 43497464
N-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 61276689
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
6-chloro-7-[(Z)-hept-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922297
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethylbutan-1-amine
CID 43492692
6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922299
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylbutan-1-ol
CID 61082388
7-(1-bromohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63445012
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 61096362

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine (CID 43497508) is 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1cc2c(cc1Cl)OCCO2)C(C)(C)C.
What is the InChIKey of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is LKNXQYVUVPTSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-5-6-18-15(16(2,3)4)11-9-13-14(10-12(11)17)20-8-7-19-13/h9-10,15,18H,5-8H2,1-4H3.
What are the key properties of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 43497508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).