(2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine

C11H15NO2 — CID 70551019

IUPAC(2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine
SMILESCC(C)C1Oc2ccc(CN)cc2O1
InChIInChI=1S/C11H15NO2/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h3-5,7,11H,6,12H2,1-2H3
InChIKeyRLGCNXJALYZXJT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.90
Rot. Bonds2

About (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine

(2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine (PubChem CID 70551019) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine.

Molecular Properties

Compound Name(2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine
PubChem CID70551019
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine
SMILESCC(C)C1Oc2ccc(CN)cc2O1
InChIInChI=1S/C11H15NO2/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h3-5,7,11H,6,12H2,1-2H3
InChIKeyRLGCNXJALYZXJT-UHFFFAOYSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine 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

(2,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 117046214
6-(aminomethyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82330827
[2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
CID 126484053
6-(aminomethyl)-2-methyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 82338912
2-[7-(aminomethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetohydrazide
CID 82338623
(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339198
[2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
CID 126483947
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
CID 82096688
1-[7-(aminomethyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-methylbutan-1-one
CID 82339390
[1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine
CID 83980237
[2-methyl-4-(1-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339068
6-(aminomethyl)-4-(2-hydroxypropanoyl)-2-methyl-1,4-benzoxazin-3-one
CID 115140687

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine?
The IUPAC name of (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine (CID 70551019) is (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine.
What is the SMILES notation for (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine?
The canonical SMILES for (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine is CC(C)C1Oc2ccc(CN)cc2O1.
What is the InChIKey of (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine?
The InChIKey is RLGCNXJALYZXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h3-5,7,11H,6,12H2,1-2H3.
What are the key properties of (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine?
(2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine has a molecular weight of 193.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine is sourced from PubChem (CID 70551019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).