(2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine

C11H14ClNO2 — CID 124636589

IUPAC(2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
SMILESCN[C@H](C)Cc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C11H14ClNO2/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10/h4-5,7,13H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyUUGIOXDVHPQROZ-SSDOTTSWSA-N
MW227.69 g/mol
LogP2.22
Rot. Bonds3

About (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine

(2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine (PubChem CID 124636589) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
PubChem CID124636589
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
SMILESCN[C@H](C)Cc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C11H14ClNO2/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10/h4-5,7,13H,3,6H2,1-2H3/t7-/m1/s1
InChIKeyUUGIOXDVHPQROZ-SSDOTTSWSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
5-(bromomethyl)-6-chloro-1,3-benzodioxole
CID 19105299
2-amino-3-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 131351020
5-chloro-6-ethyl-1,3-benzodioxole;ethane
CID 176955593
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 165438493
6-chloro-7-(2-methylbut-3-enyl)-2,3-dihydro-1,4-benzodioxine
CID 83922294
2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine
CID 83922223
[2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methoxy-3-oxopropyl]-trimethylazanium
CID 23285599
1-[(2R)-butan-2-yl]-3-(6-chloro-1,3-benzodioxol-5-yl)urea
CID 51928180
1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)propan-2-ol
CID 117425419
ethyl 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-oxobutanoate
CID 70461188
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 55181891

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine?
The IUPAC name of (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine (CID 124636589) is (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine.
What is the SMILES notation for (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine?
The canonical SMILES for (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine is CN[C@H](C)Cc1cc2c(cc1Cl)OCO2.
What is the InChIKey of (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine?
The InChIKey is UUGIOXDVHPQROZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10/h4-5,7,13H,3,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine?
(2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine has a molecular weight of 227.69 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 124636589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).