N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine

C14H16BrNO2 — CID 62453896

IUPACN-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO2/c1-2-16-9-14-11(7-8-17-14)10-18-13-5-3-12(15)4-6-13/h3-8,16H,2,9-10H2,1H3
InChIKeyMLEQHSOXZIIUGB-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.73
Rot. Bonds6

About N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62453896) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62453896
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC NameN-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO2/c1-2-16-9-14-11(7-8-17-14)10-18-13-5-3-12(15)4-6-13/h3-8,16H,2,9-10H2,1H3
InChIKeyMLEQHSOXZIIUGB-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62486443
[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62454073
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
N-[[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 79407348
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[3-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451814
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
N-[[3-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450156
N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 81341598
N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine
CID 102987125

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62453896) is N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1COc1ccc(Br)cc1.
What is the InChIKey of N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is MLEQHSOXZIIUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-2-16-9-14-11(7-8-17-14)10-18-13-5-3-12(15)4-6-13/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 310.19 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62453896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).