1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine

C13H14FNO — CID 105029224

IUPAC1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
SMILESCc1cccc(C(N)Cc2ccco2)c1F
InChIInChI=1S/C13H14FNO/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12H,8,15H2,1H3
InChIKeyDFVBRHOMTLFFEX-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine

1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine (PubChem CID 105029224) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
PubChem CID105029224
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
SMILESCc1cccc(C(N)Cc2ccco2)c1F
InChIInChI=1S/C13H14FNO/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12H,8,15H2,1H3
InChIKeyDFVBRHOMTLFFEX-UHFFFAOYSA-N
XLogP2.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 107985336
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
2-(furan-2-yl)-1-(2-iodophenyl)ethanamine
CID 105029496
2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
CID 83175328
2-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105029210
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105029463
2-(3,4-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477102

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine (CID 105029224) is 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine is Cc1cccc(C(N)Cc2ccco2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine?
The InChIKey is DFVBRHOMTLFFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12H,8,15H2,1H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine?
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105029224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).