2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine

C14H16FNO — CID 105051024

IUPAC2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(F)cc2C)o1
InChIInChI=1S/C14H16FNO/c1-9-7-12(15)5-4-11(9)8-13(16)14-6-3-10(2)17-14/h3-7,13H,8,16H2,1-2H3
InChIKeyYEVSZTWINTWARB-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.28
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine

2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 105051024) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine
PubChem CID105051024
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(F)cc2C)o1
InChIInChI=1S/C14H16FNO/c1-9-7-12(15)5-4-11(9)8-13(16)14-6-3-10(2)17-14/h3-7,13H,8,16H2,1-2H3
InChIKeyYEVSZTWINTWARB-UHFFFAOYSA-N
XLogP3.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626
2-(4-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105188357
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051021
[2-(2-bromo-4-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105296699

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine (CID 105051024) is 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(N)Cc2ccc(F)cc2C)o1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is YEVSZTWINTWARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9-7-12(15)5-4-11(9)8-13(16)14-6-3-10(2)17-14/h3-7,13H,8,16H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine?
2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 105051024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).