(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine

C13H14FNO — CID 921480

IUPAC(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
SMILESNCC[C@@H](c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H14FNO/c14-11-5-3-10(4-6-11)12(7-8-15)13-2-1-9-16-13/h1-6,9,12H,7-8,15H2/t12-/m0/s1
InChIKeyZLSUIZBQNWPKTJ-LBPRGKRZSA-N
MW219.26 g/mol
LogP2.90
Rot. Bonds4

About (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine

(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine (PubChem CID 921480) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
PubChem CID921480
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
SMILESNCC[C@@H](c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H14FNO/c14-11-5-3-10(4-6-11)12(7-8-15)13-2-1-9-16-13/h1-6,9,12H,7-8,15H2/t12-/m0/s1
InChIKeyZLSUIZBQNWPKTJ-LBPRGKRZSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
CID 2937841
2-Benzo[b]furan-3-ylethylamine
CID 12420812
3-(Furan-2-yl)propan-1-amine
CID 179114
7-(2-Aminopropyl)benzofuran
CID 10130548
3-(Furan-2-yl)-3-(p-tolyl)propan-1-amine
CID 2771861
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
2-Phenylfuran
CID 519363
2-(3-Phenylpropyl)furan
CID 529780
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
3-(Furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 2921616
3-Furan-2-yl-3-p-tolyl-propionimidic acid
CID 2928875
N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 2946691

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine (CID 921480) is (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine is NCC[C@@H](c1ccc(F)cc1)c1ccco1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is ZLSUIZBQNWPKTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14FNO/c14-11-5-3-10(4-6-11)12(7-8-15)13-2-1-9-16-13/h1-6,9,12H,7-8,15H2/t12-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine?
(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 921480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).