7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C14H20N2O3 — CID 115237864

IUPAC7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cc2c(cc1NCC1COCCN1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-10-6-13-14(19-5-4-18-13)7-12(10)16-8-11-9-17-3-2-15-11/h6-7,11,15-16H,2-5,8-9H2,1H3
InChIKeySDZIXKVLYKSOOC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds3

About 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 115237864) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID115237864
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cc2c(cc1NCC1COCCN1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-10-6-13-14(19-5-4-18-13)7-12(10)16-8-11-9-17-3-2-15-11/h6-7,11,15-16H,2-5,8-9H2,1H3
InChIKeySDZIXKVLYKSOOC-UHFFFAOYSA-N
XLogP1.17
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
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

7-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115209510
N,6-dimethyl-N-(morpholin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237974
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
CID 82492557
2-methyl-N-(morpholin-3-ylmethyl)quinolin-4-amine
CID 103549152
4-methoxy-2,3,6-trimethyl-N-(morpholin-3-ylmethyl)aniline
CID 115237900
2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237891
6-methyl-N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzodioxol-5-amine
CID 74663031
2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237892
N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115238131
3-methyl-N-(morpholin-3-ylmethyl)-4-nitroaniline
CID 103549104
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115217387

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 115237864) is 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is Cc1cc2c(cc1NCC1COCCN1)OCCO2.
What is the InChIKey of 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is SDZIXKVLYKSOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-13-14(19-5-4-18-13)7-12(10)16-8-11-9-17-3-2-15-11/h6-7,11,15-16H,2-5,8-9H2,1H3.
What are the key properties of 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 264.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 115237864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).