N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine

C14H15BrFNO2 — CID 43225812

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(Br)o2)cc1F
InChIInChI=1S/C14H15BrFNO2/c1-9(17-8-11-4-6-14(15)19-11)10-3-5-13(18-2)12(16)7-10/h3-7,9,17H,8H2,1-2H3
InChIKeyWDSWUUAIVGEPJR-UHFFFAOYSA-N
MW328.18 g/mol
LogP4.04
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine

N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 43225812) has the molecular formula C14H15BrFNO2 and a molecular weight of 328.18 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID43225812
Molecular FormulaC14H15BrFNO2
Molecular Weight328.18 g/mol
Exact Mass327.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(Br)o2)cc1F
InChIInChI=1S/C14H15BrFNO2/c1-9(17-8-11-4-6-14(15)19-11)10-3-5-13(18-2)12(16)7-10/h3-7,9,17H,8H2,1-2H3
InChIKeyWDSWUUAIVGEPJR-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
2-bromo-4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]phenol
CID 60669278
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43224333
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 43225812) is N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2ccc(Br)o2)cc1F.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is WDSWUUAIVGEPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO2/c1-9(17-8-11-4-6-14(15)19-11)10-3-5-13(18-2)12(16)7-10/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 328.18 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43225812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).