2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine

C15H18BrNO2 — CID 60646267

IUPAC2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CN(C)CCOc2cccc(Br)c2)o1
InChIInChI=1S/C15H18BrNO2/c1-12-6-7-15(19-12)11-17(2)8-9-18-14-5-3-4-13(16)10-14/h3-7,10H,8-9,11H2,1-2H3
InChIKeyZRNFGJOCQXVJCX-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.86
Rot. Bonds6

About 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine

2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 60646267) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID60646267
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CN(C)CCOc2cccc(Br)c2)o1
InChIInChI=1S/C15H18BrNO2/c1-12-6-7-15(19-12)11-17(2)8-9-18-14-5-3-4-13(16)10-14/h3-7,10H,8-9,11H2,1-2H3
InChIKeyZRNFGJOCQXVJCX-UHFFFAOYSA-N
XLogP3.86
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61069035
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 167812715
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
CID 2457467
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
2-(3-bromophenoxy)ethyl 5-methylfuran-2-carboxylate
CID 55323496
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60507099
N'-[2-(3-bromophenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652362
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 60646267) is 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CN(C)CCOc2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is ZRNFGJOCQXVJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-12-6-7-15(19-12)11-17(2)8-9-18-14-5-3-4-13(16)10-14/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine?
2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 324.22 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 60646267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).