1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine

C11H14ClNO2 — CID 83893022

IUPAC1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C11H14ClNO2/c1-7(13)2-8-3-10(12)4-9-5-14-6-15-11(8)9/h3-4,7H,2,5-6,13H2,1H3
InChIKeySEMBMYFITPCDRF-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.10
Rot. Bonds2

About 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine

1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine (PubChem CID 83893022) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
PubChem CID83893022
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C11H14ClNO2/c1-7(13)2-8-3-10(12)4-9-5-14-6-15-11(8)9/h3-4,7H,2,5-6,13H2,1H3
InChIKeySEMBMYFITPCDRF-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]butan-1-ol
CID 66138360
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-diethylazanium chloride
CID 18528283
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]propan-2-ol
CID 62333763
6-chloro-8-(ethylsulfanylmethyl)-4H-1,3-benzodioxine
CID 165347689
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
CID 60516856
1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]triazol-4-yl]ethanamine
CID 114419624
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium
CID 2804478
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]aniline
CID 2803798
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117354002
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-methyltetrazole
CID 84587319
8-bromo-6-chloro-4H-1,3-benzodioxine
CID 14520335

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine?
The IUPAC name of 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine (CID 83893022) is 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine.
What is the SMILES notation for 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine?
The canonical SMILES for 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine is CC(N)Cc1cc(Cl)cc2c1OCOC2.
What is the InChIKey of 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine?
The InChIKey is SEMBMYFITPCDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(13)2-8-3-10(12)4-9-5-14-6-15-11(8)9/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine?
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine has a molecular weight of 227.69 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine is sourced from PubChem (CID 83893022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).