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

C14H16FNO2 — CID 82808349

IUPACN-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1cccc(OC)c1F
InChIInChI=1S/C14H16FNO2/c1-3-16-14(12-8-5-9-18-12)10-6-4-7-11(17-2)13(10)15/h4-9,14,16H,3H2,1-2H3
InChIKeyNLCMWEUHHQZNOC-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.13
Rot. Bonds5

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

N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine (PubChem CID 82808349) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
PubChem CID82808349
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1cccc(OC)c1F
InChIInChI=1S/C14H16FNO2/c1-3-16-14(12-8-5-9-18-12)10-6-4-7-11(17-2)13(10)15/h4-9,14,16H,3H2,1-2H3
InChIKeyNLCMWEUHHQZNOC-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(2-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43492710
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(2-fluoro-3-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 82791652
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
N-[(4-bromothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807404
N-[(2-fluoro-3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 82808223
N-[(2-fluoro-3-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 82791784
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine (CID 82808349) is N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine is CCNC(c1ccco1)c1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine?
The InChIKey is NLCMWEUHHQZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-3-16-14(12-8-5-9-18-12)10-6-4-7-11(17-2)13(10)15/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine?
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine has a molecular weight of 249.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 82808349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).