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

C14H16BrNO2 — CID 61069035

IUPAC2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCOc2cccc(Br)c2)o1
InChIInChI=1S/C14H16BrNO2/c1-11-5-6-14(18-11)10-16-7-8-17-13-4-2-3-12(15)9-13/h2-6,9,16H,7-8,10H2,1H3
InChIKeyVQWKSUSRNXCHBQ-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.52
Rot. Bonds6

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

2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 61069035) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID61069035
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCOc2cccc(Br)c2)o1
InChIInChI=1S/C14H16BrNO2/c1-11-5-6-14(18-11)10-16-7-8-17-13-4-2-3-12(15)9-13/h2-6,9,16H,7-8,10H2,1H3
InChIKeyVQWKSUSRNXCHBQ-UHFFFAOYSA-N
XLogP3.52
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119124887
2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60646267
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60688504
2-(3-bromophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 55070509
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
4-bromo-N-[2-(3-bromophenoxy)ethyl]butan-1-amine
CID 106844841
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine
CID 60691668
2-(3-bromophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 62119001
2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62989177
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 61069035) is 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CNCCOc2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is VQWKSUSRNXCHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-11-5-6-14(18-11)10-16-7-8-17-13-4-2-3-12(15)9-13/h2-6,9,16H,7-8,10H2,1H3.
What are the key properties of 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 310.19 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 61069035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).