N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C17H24BrNO2 — CID 104702120

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCc2cc(Br)cc3c2OCC3)C1(C)C
InChIInChI=1S/C17H24BrNO2/c1-4-20-15-9-14(17(15,2)3)19-10-12-8-13(18)7-11-5-6-21-16(11)12/h7-8,14-15,19H,4-6,9-10H2,1-3H3
InChIKeySHAZQIVTKYGKPC-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.68
Rot. Bonds5

About N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 104702120) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID104702120
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCc2cc(Br)cc3c2OCC3)C1(C)C
InChIInChI=1S/C17H24BrNO2/c1-4-20-15-9-14(17(15,2)3)19-10-12-8-13(18)7-11-5-6-21-16(11)12/h7-8,14-15,19H,4-6,9-10H2,1-3H3
InChIKeySHAZQIVTKYGKPC-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine with MolForge

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Related Compounds

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,2-diethoxyethanamine
CID 104702398
3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 104756373
3-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclobutan-1-ol
CID 113403290
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-cycloheptylmethanamine
CID 104702152
2-(aminomethyl)-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclohexan-1-amine
CID 104702080
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-ethoxypyridin-2-amine
CID 104703116
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113449635
4-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 104703609
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylbutanamide
CID 104702736
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(thian-4-yl)methanamine
CID 104754801
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 104702120) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCc2cc(Br)cc3c2OCC3)C1(C)C.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is SHAZQIVTKYGKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-4-20-15-9-14(17(15,2)3)19-10-12-8-13(18)7-11-5-6-21-16(11)12/h7-8,14-15,19H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 354.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 104702120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).