1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine

C10H12ClNO2 — CID 83886131

IUPAC1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
SMILESCNCc1cc2c(c(Cl)c1C)OCO2
InChIInChI=1S/C10H12ClNO2/c1-6-7(4-12-2)3-8-10(9(6)11)14-5-13-8/h3,12H,4-5H2,1-2H3
InChIKeyHFVFEXYJCVZICM-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.10
Rot. Bonds2

About 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine

1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine (PubChem CID 83886131) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
PubChem CID83886131
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
SMILESCNCc1cc2c(c(Cl)c1C)OCO2
InChIInChI=1S/C10H12ClNO2/c1-6-7(4-12-2)3-8-10(9(6)11)14-5-13-8/h3,12H,4-5H2,1-2H3
InChIKeyHFVFEXYJCVZICM-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84780937
O-[(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117331328
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117392742
2-(7-chloro-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 64868326
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
N-[(7-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]hydroxylamine
CID 117403820
3-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117356387
3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117329520
2-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-2-oxoacetic acid
CID 117358414
[1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117387232
2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 45097791
4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84671070

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine (CID 83886131) is 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine is CNCc1cc2c(c(Cl)c1C)OCO2.
What is the InChIKey of 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine?
The InChIKey is HFVFEXYJCVZICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-7(4-12-2)3-8-10(9(6)11)14-5-13-8/h3,12H,4-5H2,1-2H3.
What are the key properties of 1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine?
1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine has a molecular weight of 213.66 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-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83886131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).