1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine

C13H14FNO — CID 105092774

IUPAC1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
SMILESNC(CCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C13H14FNO/c14-11-4-1-3-10(9-11)13(15)7-6-12-5-2-8-16-12/h1-5,8-9,13H,6-7,15H2
InChIKeyGXENIMFKSKBAIU-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.05
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine

1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine (PubChem CID 105092774) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
PubChem CID105092774
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
SMILESNC(CCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C13H14FNO/c14-11-4-1-3-10(9-11)13(15)7-6-12-5-2-8-16-12/h1-5,8-9,13H,6-7,15H2
InChIKeyGXENIMFKSKBAIU-UHFFFAOYSA-N
XLogP3.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluorophenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105285501
3-(furan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105187906
(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 40511217
1-(3-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515429
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105173645
2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
CID 43334509
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 105092976
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172248
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine (CID 105092774) is 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine is NC(CCc1ccco1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is GXENIMFKSKBAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-11-4-1-3-10(9-11)13(15)7-6-12-5-2-8-16-12/h1-5,8-9,13H,6-7,15H2.
What are the key properties of 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105092774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).