2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine

C11H14ClNO2 — CID 117327782

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine
SMILESCC(C)(N)c1ccc(Cl)c2c1OCCO2
InChIInChI=1S/C11H14ClNO2/c1-11(2,13)7-3-4-8(12)10-9(7)14-5-6-15-10/h3-4H,5-6,13H2,1-2H3
InChIKeyBWUAHVKAVNMQSJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.31
Rot. Bonds1

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine (PubChem CID 117327782) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine
PubChem CID117327782
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine
SMILESCC(C)(N)c1ccc(Cl)c2c1OCCO2
InChIInChI=1S/C11H14ClNO2/c1-11(2,13)7-3-4-8(12)10-9(7)14-5-6-15-10/h3-4H,5-6,13H2,1-2H3
InChIKeyBWUAHVKAVNMQSJ-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine
CID 117283610
4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran
CID 158971605
2-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117392753
2-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-amine
CID 117316786
7-(2-aminopropan-2-yl)-5-chloro-1,3-benzodioxole-4-carbaldehyde
CID 117356137
8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine
CID 165154481
2-(2-chloro-4-methylphenyl)propan-2-amine
CID 83696800
2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117356405
5-chloro-8-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130774940
5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298719
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine (CID 117327782) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine is CC(C)(N)c1ccc(Cl)c2c1OCCO2.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine?
The InChIKey is BWUAHVKAVNMQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,13)7-3-4-8(12)10-9(7)14-5-6-15-10/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine has a molecular weight of 227.69 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine is sourced from PubChem (CID 117327782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).