N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine

C13H19NO2 — CID 170865570

IUPACN,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
SMILESCc1cc2c(cc1CCCN(C)C)OCO2
InChIInChI=1S/C13H19NO2/c1-10-7-12-13(16-9-15-12)8-11(10)5-4-6-14(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyWOIOHEGLHHMERO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.22
Rot. Bonds4

About N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine

N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine (PubChem CID 170865570) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
PubChem CID170865570
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
SMILESCc1cc2c(cc1CCCN(C)C)OCO2
InChIInChI=1S/C13H19NO2/c1-10-7-12-13(16-9-15-12)8-11(10)5-4-6-14(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyWOIOHEGLHHMERO-UHFFFAOYSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propan-2-amine
CID 117044240
3-chloro-N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propan-1-amine
CID 115215983
3-(6-methyl-1,3-benzodioxol-5-yl)propanenitrile
CID 116927389
6-(3-chloropropyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 116926663
2-[methyl-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoacetic acid
CID 115141554
N-ethyl-N'-methyl-N'-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]ethane-1,2-diamine
CID 115206131
3-[methyl-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]amino]propanenitrile
CID 115231282
2-[methyl-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]amino]acetamide
CID 115260297
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167533
2-[methyl-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]amino]propanenitrile
CID 115130588
N-ethyl-N-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115259606
3-[methyl-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]propan-1-ol
CID 115217179

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine (CID 170865570) is N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine is Cc1cc2c(cc1CCCN(C)C)OCO2.
What is the InChIKey of N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine?
The InChIKey is WOIOHEGLHHMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-12-13(16-9-15-12)8-11(10)5-4-6-14(2)3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine?
N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine is sourced from PubChem (CID 170865570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).