N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine

C11H15NO2 — CID 163258308

IUPACN-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine
SMILESCC(C)N(C)c1cccc2c1OCO2
InChIInChI=1S/C11H15NO2/c1-8(2)12(3)9-5-4-6-10-11(9)14-7-13-10/h4-6,8H,7H2,1-3H3
InChIKeyYQCFMGCDBVQBNL-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.26
Rot. Bonds2

About N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine

N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine (PubChem CID 163258308) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine
PubChem CID163258308
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine
SMILESCC(C)N(C)c1cccc2c1OCO2
InChIInChI=1S/C11H15NO2/c1-8(2)12(3)9-5-4-6-10-11(9)14-7-13-10/h4-6,8H,7H2,1-3H3
InChIKeyYQCFMGCDBVQBNL-UHFFFAOYSA-N
XLogP2.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide
CID 163258801
1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine
CID 101045626
N-methyl-N-propan-2-yl-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-amine
CID 167471712
4-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole
CID 126542882
4-(bromomethyl)-1,3-benzodioxole
CID 22505967
(1R,2S)-1-amino-1-(1,3-benzodioxol-4-yl)-3-methylpentan-2-ol;hydrochloride
CID 171264923
(2R)-2-(1,3-benzodioxol-4-ylmethylamino)propan-1-ol
CID 93187645
N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride
CID 154879529
N-methyl-N-(3-methylbutyl)-1,3-benzodioxole-4-carboxamide
CID 87020392
N-methyl-1,3-benzodioxol-4-amine
CID 55252977
2-[1,3-benzodioxol-4-ylsulfonyl(methyl)amino]-3-methylpentanoic acid
CID 154745228
4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole
CID 22974648

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine?
The IUPAC name of N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine (CID 163258308) is N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine is CC(C)N(C)c1cccc2c1OCO2.
What is the InChIKey of N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine?
The InChIKey is YQCFMGCDBVQBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)12(3)9-5-4-6-10-11(9)14-7-13-10/h4-6,8H,7H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine?
N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine has a molecular weight of 193.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine is sourced from PubChem (CID 163258308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).