2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine

C10H12ClNO2 — CID 84679955

IUPAC2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine
SMILESCc1c(CCN)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H12ClNO2/c1-6-7(2-3-12)4-8(11)10-9(6)13-5-14-10/h4H,2-3,5,12H2,1H3
InChIKeyLFBWWQKKLOOABY-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.88
Rot. Bonds2

About 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine

2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine (PubChem CID 84679955) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine
PubChem CID84679955
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine
SMILESCc1c(CCN)cc(Cl)c2c1OCO2
InChIInChI=1S/C10H12ClNO2/c1-6-7(2-3-12)4-8(11)10-9(6)13-5-14-10/h4H,2-3,5,12H2,1H3
InChIKeyLFBWWQKKLOOABY-UHFFFAOYSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine 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

2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305862
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117329398
3-amino-1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-1-one
CID 117356143
2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84693061
2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679932
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117358648
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84680593
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanone
CID 84702820
3-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117427946
8-(2-aminoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 84702807
3-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)-3-methylbutanoic acid
CID 117429705
7-(2-aminoethyl)-6-chloro-1,3-benzodioxole-4-carbaldehyde
CID 84691416

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine?
The IUPAC name of 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine (CID 84679955) is 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine is Cc1c(CCN)cc(Cl)c2c1OCO2.
What is the InChIKey of 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine?
The InChIKey is LFBWWQKKLOOABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-7(2-3-12)4-8(11)10-9(6)13-5-14-10/h4H,2-3,5,12H2,1H3.
What are the key properties of 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine?
2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine has a molecular weight of 213.66 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanamine is sourced from PubChem (CID 84679955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).