1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine

C14H16FNO — CID 114103103

IUPAC1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine
SMILESCCc1occc1C(N)Cc1ccccc1F
InChIInChI=1S/C14H16FNO/c1-2-14-11(7-8-17-14)13(16)9-10-5-3-4-6-12(10)15/h3-8,13H,2,9,16H2,1H3
InChIKeyPGKVRQOAKSTNAJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine

1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine (PubChem CID 114103103) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine
PubChem CID114103103
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine
SMILESCCc1occc1C(N)Cc1ccccc1F
InChIInChI=1S/C14H16FNO/c1-2-14-11(7-8-17-14)13(16)9-10-5-3-4-6-12(10)15/h3-8,13H,2,9,16H2,1H3
InChIKeyPGKVRQOAKSTNAJ-UHFFFAOYSA-N
XLogP3.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
(1S)-1-(2-ethylfuran-3-yl)propan-1-amine
CID 55291890
(3S)-3-amino-3-(2-ethylfuran-3-yl)propanenitrile
CID 55292744
2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832102
2-amino-2-(2-ethylfuran-3-yl)acetic acid
CID 55295015
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
1-(4-chloronaphthalen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 79591908
2-(2-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105090092
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethylfuran-3-yl)ethanamine
CID 114104418

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine (CID 114103103) is 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine is CCc1occc1C(N)Cc1ccccc1F.
What is the InChIKey of 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is PGKVRQOAKSTNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-2-14-11(7-8-17-14)13(16)9-10-5-3-4-6-12(10)15/h3-8,13H,2,9,16H2,1H3.
What are the key properties of 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine?
1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 114103103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).