(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium

C18H25FNO+ — CID 7463397

IUPAC(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
SMILESCc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H24FNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3/p+1/t13-/m0/s1
InChIKeyHSHPVFMBIHEUDT-ZDUSSCGKSA-O
MW290.40 g/mol
LogP3.55
Rot. Bonds6

About (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium

(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium (PubChem CID 7463397) has the molecular formula C18H25FNO+ and a molecular weight of 290.40 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
PubChem CID7463397
Molecular FormulaC18H25FNO+
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium
SMILESCc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H24FNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3/p+1/t13-/m0/s1
InChIKeyHSHPVFMBIHEUDT-ZDUSSCGKSA-O
XLogP3.55
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The IUPAC name of (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium (CID 7463397) is (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium.
What is the SMILES notation for (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The canonical SMILES for (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium is Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc(F)cc2)o1.
What is the InChIKey of (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
The InChIKey is HSHPVFMBIHEUDT-ZDUSSCGKSA-O. The full InChI is InChI=1S/C18H24FNO/c1-13(20-12-15-6-8-16(19)9-7-15)11-18(3,4)17-10-5-14(2)21-17/h5-10,13,20H,11-12H2,1-4H3/p+1/t13-/m0/s1.
What are the key properties of (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium?
(4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium has a molecular weight of 290.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium is sourced from PubChem (CID 7463397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).