N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine

C12H17NO2 — CID 15482224

IUPACN-butyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCCCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO2/c1-2-3-6-13-10-4-5-11-12(9-10)15-8-7-14-11/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyMVNCRVVUZXEALF-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.67
Rot. Bonds4

About N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine

N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 15482224) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-butyl-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID15482224
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-butyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCCCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO2/c1-2-3-6-13-10-4-5-11-12(9-10)15-8-7-14-11/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyMVNCRVVUZXEALF-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 28876640
N-decyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63487624
N-(4,4-dimethylpentyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 114209373
methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butanoate
CID 43377888
5-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109224700
N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 61494334
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
N-pent-3-ynyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 104744129
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-butyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29277454
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872
N-(2-ethoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43387899

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine (CID 15482224) is N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine is CCCCNc1ccc2c(c1)OCCO2.
What is the InChIKey of N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is MVNCRVVUZXEALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-6-13-10-4-5-11-12(9-10)15-8-7-14-11/h4-5,9,13H,2-3,6-8H2,1H3.
What are the key properties of N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine?
N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 207.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 15482224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).