6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine

C9H10ClNO2 — CID 140990727

IUPAC6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine
SMILESCC1COc2ccc(Cl)c(N)c2O1
InChIInChI=1S/C9H10ClNO2/c1-5-4-12-7-3-2-6(10)8(11)9(7)13-5/h2-3,5H,4,11H2,1H3
InChIKeyLNCAFYAREWVNOD-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.08
Rot. Bonds

About 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine

6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine (PubChem CID 140990727) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine.

Molecular Properties

Compound Name6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine
PubChem CID140990727
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine
SMILESCC1COc2ccc(Cl)c(N)c2O1
InChIInChI=1S/C9H10ClNO2/c1-5-4-12-7-3-2-6(10)8(11)9(7)13-5/h2-3,5H,4,11H2,1H3
InChIKeyLNCAFYAREWVNOD-UHFFFAOYSA-N
XLogP2.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine
CID 89396975
(3S)-3-methyl-2,3-dihydro-1,4-benzodioxine-5,8-diamine
CID 89397007
2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 23175924
5,8-dichloro-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537153
ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
(7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
CID 154628667
(6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 170357968
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 134391362
5-amino-6-chloro-3-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide;hydrochloride
CID 174303552
5-(3-methoxycyclohepta-1,4,6-trien-1-yl)-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 143319874
3-methyl-2,3-dihydro-1,4-benzodioxepin-5-one
CID 135057032
3,6-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole
CID 66616090

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine?
The IUPAC name of 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine (CID 140990727) is 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine.
What is the SMILES notation for 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine?
The canonical SMILES for 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine is CC1COc2ccc(Cl)c(N)c2O1.
What is the InChIKey of 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine?
The InChIKey is LNCAFYAREWVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5-4-12-7-3-2-6(10)8(11)9(7)13-5/h2-3,5H,4,11H2,1H3.
What are the key properties of 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine?
6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine has a molecular weight of 199.64 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2,3-dihydro-1,4-benzodioxin-5-amine is sourced from PubChem (CID 140990727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).