6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine

C15H16BrNO3 — CID 63085271

IUPAC6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC(Cc1ccco1)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H16BrNO3/c1-10(7-11-3-2-4-18-11)17-13-9-15-14(8-12(13)16)19-5-6-20-15/h2-4,8-10,17H,5-7H2,1H3
InChIKeyWLEDGQMFCYPSIT-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.86
Rot. Bonds4

About 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine

6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 63085271) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID63085271
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC(Cc1ccco1)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H16BrNO3/c1-10(7-11-3-2-4-18-11)17-13-9-15-14(8-12(13)16)19-5-6-20-15/h2-4,8-10,17H,5-7H2,1H3
InChIKeyWLEDGQMFCYPSIT-UHFFFAOYSA-N
XLogP3.86
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-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

6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 55181891
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 63085665
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568129
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 51939772
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea
CID 51939771
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine (CID 63085271) is 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine is CC(Cc1ccco1)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is WLEDGQMFCYPSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10(7-11-3-2-4-18-11)17-13-9-15-14(8-12(13)16)19-5-6-20-15/h2-4,8-10,17H,5-7H2,1H3.
What are the key properties of 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine?
6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 338.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 63085271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).