N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine

C14H15BrClNO2 — CID 115861522

IUPACN-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1occc1Br
InChIInChI=1S/C14H15BrClNO2/c1-3-17-13(14-11(15)6-7-19-14)10-8-9(16)4-5-12(10)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyIAFHXLPQSYCXMT-UHFFFAOYSA-N
MW344.64 g/mol
LogP4.40
Rot. Bonds5

About N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine

N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 115861522) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
PubChem CID115861522
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC NameN-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1occc1Br
InChIInChI=1S/C14H15BrClNO2/c1-3-17-13(14-11(15)6-7-19-14)10-8-9(16)4-5-12(10)18-2/h4-8,13,17H,3H2,1-2H3
InChIKeyIAFHXLPQSYCXMT-UHFFFAOYSA-N
XLogP4.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 102828487
N-[(2-bromofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106851959
N-[(2-bromo-4-chlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 107987462
N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 107982128
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
N-[(3-bromofuran-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861384
N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491448
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 62079394
1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 106886215

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine (CID 115861522) is N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1OC)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is IAFHXLPQSYCXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-3-17-13(14-11(15)6-7-19-14)10-8-9(16)4-5-12(10)18-2/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine?
N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 344.64 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115861522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).