3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol

C15H23NO3 — CID 115133980

IUPAC3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
SMILESCc1cc2c(cc1N(C)C(C)(C)CCO)OCCO2
InChIInChI=1S/C15H23NO3/c1-11-9-13-14(19-8-7-18-13)10-12(11)16(4)15(2,3)5-6-17/h9-10,17H,5-8H2,1-4H3
InChIKeyULOCTAPSHLEYAQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds4

About 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol

3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol (PubChem CID 115133980) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
PubChem CID115133980
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
SMILESCc1cc2c(cc1N(C)C(C)(C)CCO)OCCO2
InChIInChI=1S/C15H23NO3/c1-11-9-13-14(19-8-7-18-13)10-12(11)16(4)15(2,3)5-6-17/h9-10,17H,5-8H2,1-4H3
InChIKeyULOCTAPSHLEYAQ-UHFFFAOYSA-N
XLogP2.36
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 115138893
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115135785
1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115196418
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
CID 82492557
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
2-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanoic acid
CID 115219345
4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115217387
2-(ethylamino)-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 115157805
1-N,3-dimethyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)butane-1,3-diamine
CID 115200549
3-[methyl-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propan-1-ol
CID 115216940
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-methylamino]ethanol
CID 43167700
2-methyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propan-2-ol
CID 115136774

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol (CID 115133980) is 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol is Cc1cc2c(cc1N(C)C(C)(C)CCO)OCCO2.
What is the InChIKey of 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol?
The InChIKey is ULOCTAPSHLEYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-9-13-14(19-8-7-18-13)10-12(11)16(4)15(2,3)5-6-17/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol?
3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol is sourced from PubChem (CID 115133980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).