6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine

C14H20N2O3 — CID 115239132

IUPAC6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine
SMILESCc1cc2c(cc1NCCC1CNCCO1)OCO2
InChIInChI=1S/C14H20N2O3/c1-10-6-13-14(19-9-18-13)7-12(10)16-3-2-11-8-15-4-5-17-11/h6-7,11,15-16H,2-5,8-9H2,1H3
InChIKeyCTRLGYVVPBPQLP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.51
Rot. Bonds4

About 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine

6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine (PubChem CID 115239132) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound Name6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine
PubChem CID115239132
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine
SMILESCc1cc2c(cc1NCCC1CNCCO1)OCO2
InChIInChI=1S/C14H20N2O3/c1-10-6-13-14(19-9-18-13)7-12(10)16-3-2-11-8-15-4-5-17-11/h6-7,11,15-16H,2-5,8-9H2,1H3
InChIKeyCTRLGYVVPBPQLP-UHFFFAOYSA-N
XLogP1.51
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,6-dimethyl-N-(morpholin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237589
4-fluoro-3-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 115239076
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669805
N-methyl-2-morpholin-2-ylethanamine
CID 14652595
N-(2-morpholin-2-ylethyl)pyridin-4-amine
CID 115239129
3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propane-1-thiol
CID 115224661
7-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115209510
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
CID 82492557
N-[(3-methylphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239213
N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239238
2-methyl-N'-(6-methyl-1,3-benzodioxol-5-yl)butane-1,4-diamine
CID 115203011
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine?
The IUPAC name of 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine (CID 115239132) is 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine is Cc1cc2c(cc1NCCC1CNCCO1)OCO2.
What is the InChIKey of 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine?
The InChIKey is CTRLGYVVPBPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-13-14(19-9-18-13)7-12(10)16-3-2-11-8-15-4-5-17-11/h6-7,11,15-16H,2-5,8-9H2,1H3.
What are the key properties of 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine?
6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine has a molecular weight of 264.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 115239132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).