2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium

C19H27FNO+ — CID 2261130

IUPAC2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
SMILESCc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2cccc(F)c2)o1
InChIInChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3/p+1/t14-/m1/s1
InChIKeyUHIHTYFLLFIMGT-CQSZACIVSA-O
MW304.43 g/mol
LogP3.59
Rot. Bonds7

About 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium

2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium (PubChem CID 2261130) has the molecular formula C19H27FNO+ and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium.

Molecular Properties

Compound Name2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
PubChem CID2261130
Molecular FormulaC19H27FNO+
Molecular Weight304.43 g/mol
Exact Mass304.21
IUPAC Name2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
SMILESCc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2cccc(F)c2)o1
InChIInChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3/p+1/t14-/m1/s1
InChIKeyUHIHTYFLLFIMGT-CQSZACIVSA-O
XLogP3.59
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 7463397
(3,4-dichlorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
CID 7463523
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
(Z)-3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]but-2-enamide
CID 111481361
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The IUPAC name of 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium (CID 2261130) is 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium.
What is the SMILES notation for 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The canonical SMILES for 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium is Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2cccc(F)c2)o1.
What is the InChIKey of 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The InChIKey is UHIHTYFLLFIMGT-CQSZACIVSA-O. The full InChI is InChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3/p+1/t14-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium has a molecular weight of 304.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)ethyl-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium is sourced from PubChem (CID 2261130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).