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

C14H20BrNO2 — CID 113449635

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H20BrNO2/c1-14(2,17-3)9-16-8-11-7-12(15)6-10-4-5-18-13(10)11/h6-7,16H,4-5,8-9H2,1-3H3
InChIKeyOMVJRDYKXQCAOF-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.90
Rot. Bonds5

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

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 113449635) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID113449635
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H20BrNO2/c1-14(2,17-3)9-16-8-11-7-12(15)6-10-4-5-18-13(10)11/h6-7,16H,4-5,8-9H2,1-3H3
InChIKeyOMVJRDYKXQCAOF-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(5-bromo-2-isobutoxybenzyl)-2-methyl-2-propanamine hydrochloride
CID 2980736
N-[2-(benzyloxy)-5-bromobenzyl]-N-(3-ethoxypropyl)amine
CID 1814803
N-(5-bromo-2-ethoxybenzyl)-2-(morpholin-4-yl)ethanamine
CID 1817944
2-{[2-(Allyloxy)-5-bromobenzyl]amino}-2-methyl-1-propanol hydrochloride
CID 2959669
[2-(Benzyloxy)-5-bromobenzyl](tetrahydro-2-furanylmethyl)amine hydrochloride
CID 2964122
N-[2-(allyloxy)-5-bromobenzyl]-2-methyl-2-propanamine hydrochloride
CID 6461894
N-(5-bromo-2-ethoxybenzyl)-3-ethoxy-1-propanamine hydrochloride
CID 2968489
N-(5-bromo-2-methoxybenzyl)-N-(tetrahydro-2-furanylmethyl)amine
CID 2959603
N-[2-(benzyloxy)-5-bromobenzyl]-N-(tetrahydro-2-furanylmethyl)amine
CID 2964123
CID 2983409
CID 2983409
2-{[2-(Allyloxy)-5-bromobenzyl]amino}ethanol hydrochloride
CID 2988300
N-[2-(allyloxy)-5-bromobenzyl]-3-(4-morpholinyl)-1-propanamine dihydrochloride
CID 11979295

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine (CID 113449635) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCc1cc(Br)cc2c1OCC2.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is OMVJRDYKXQCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,17-3)9-16-8-11-7-12(15)6-10-4-5-18-13(10)11/h6-7,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 2.90, 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]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 113449635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).