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

C14H16FNO2 — CID 106887121

IUPACN-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(OC)c(F)c2)o1
InChIInChI=1S/C14H16FNO2/c1-3-16-9-11-5-7-13(18-11)10-4-6-14(17-2)12(15)8-10/h4-8,16H,3,9H2,1-2H3
InChIKeyIUQAJIMKGCDIHX-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.20
Rot. Bonds5

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

N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887121) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106887121
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(OC)c(F)c2)o1
InChIInChI=1S/C14H16FNO2/c1-3-16-9-11-5-7-13(18-11)10-4-6-14(17-2)12(15)8-10/h4-8,16H,3,9H2,1-2H3
InChIKeyIUQAJIMKGCDIHX-UHFFFAOYSA-N
XLogP3.20
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
CID 107289734
N-[[5-(2-methoxy-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106887131
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863
N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183247
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106889030
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 55119419
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
CID 106887386
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine (CID 106887121) is N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccc(OC)c(F)c2)o1.
What is the InChIKey of N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is IUQAJIMKGCDIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-3-16-9-11-5-7-13(18-11)10-4-6-14(17-2)12(15)8-10/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 249.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).