N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine

C16H25NO3 — CID 20617375

IUPACN-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine
SMILESCCC(NCC(C)C)c1cc(OC)c(C)c2c1OCO2
InChIInChI=1S/C16H25NO3/c1-6-13(17-8-10(2)3)12-7-14(18-5)11(4)15-16(12)20-9-19-15/h7,10,13,17H,6,8-9H2,1-5H3
InChIKeyWLZKPFQKBUGDTJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine

N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine (PubChem CID 20617375) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine
PubChem CID20617375
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine
SMILESCCC(NCC(C)C)c1cc(OC)c(C)c2c1OCO2
InChIInChI=1S/C16H25NO3/c1-6-13(17-8-10(2)3)12-7-14(18-5)11(4)15-16(12)20-9-19-15/h7,10,13,17H,6,8-9H2,1-5H3
InChIKeyWLZKPFQKBUGDTJ-UHFFFAOYSA-N
XLogP3.43
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine 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

7-(1-azidopropyl)-5-methoxy-4-methyl-1,3-benzodioxole;(9S)-9-ethyl-5-methoxy-4-methyl-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol;N-[(1S)-1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine;5-methoxy-4-methyl-7-(oxiran-2-yl)-1,3-benzodioxole
CID 91129688
2,2-diethoxy-N-[(1R)-1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)-2-phenylmethoxyethyl]ethanamine
CID 11316395
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
2-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)ethanol
CID 61056570
N-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]-2-methylpropan-1-amine
CID 113480979
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
4-[1-(2-methylpropylamino)propyl]benzene-1,3-diol
CID 177492120
ethyl 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetate
CID 61002196

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine (CID 20617375) is N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine is CCC(NCC(C)C)c1cc(OC)c(C)c2c1OCO2.
What is the InChIKey of N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is WLZKPFQKBUGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-13(17-8-10(2)3)12-7-14(18-5)11(4)15-16(12)20-9-19-15/h7,10,13,17H,6,8-9H2,1-5H3.
What are the key properties of N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine?
N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 20617375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).