N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine

C15H18BrNO3 — CID 43490697

IUPACN-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H18BrNO3/c1-4-17-15(12-7-8-14(16)20-12)11-6-5-10(18-2)9-13(11)19-3/h5-9,15,17H,4H2,1-3H3
InChIKeyUYFRRLBFCLNCDO-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.76
Rot. Bonds6

About N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine

N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine (PubChem CID 43490697) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
PubChem CID43490697
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC NameN-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H18BrNO3/c1-4-17-15(12-7-8-14(16)20-12)11-6-5-10(18-2)9-13(11)19-3/h5-9,15,17H,4H2,1-3H3
InChIKeyUYFRRLBFCLNCDO-UHFFFAOYSA-N
XLogP3.76
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206
N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
CID 106684349
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696
2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
CID 61086394
N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698
N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
CID 60964485
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
CID 63443265
N-[(5-bromofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283890
N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488164
N-[(2,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360353

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine (CID 43490697) is N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)o1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is UYFRRLBFCLNCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-4-17-15(12-7-8-14(16)20-12)11-6-5-10(18-2)9-13(11)19-3/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 340.22 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43490697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).