[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium

C19H19BrNO+ — CID 8622897

IUPAC[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1
InChIInChI=1S/C19H18BrNO/c1-14(15-5-3-2-4-6-15)21-13-18-11-12-19(22-18)16-7-9-17(20)10-8-16/h2-12,14,21H,13H2,1H3/p+1/t14-/m1/s1
InChIKeyPKGYWWLTMWTNSK-CQSZACIVSA-O
MW357.27 g/mol
LogP4.53
Rot. Bonds5

About [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium

[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium (PubChem CID 8622897) has the molecular formula C19H19BrNO+ and a molecular weight of 357.27 g/mol. Its IUPAC name is [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium
PubChem CID8622897
Molecular FormulaC19H19BrNO+
Molecular Weight357.27 g/mol
Exact Mass356.06
IUPAC Name[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1
InChIInChI=1S/C19H18BrNO/c1-14(15-5-3-2-4-6-15)21-13-18-11-12-19(22-18)16-7-9-17(20)10-8-16/h2-12,14,21H,13H2,1H3/p+1/t14-/m1/s1
InChIKeyPKGYWWLTMWTNSK-CQSZACIVSA-O
XLogP4.53
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
CID 8622876
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8639360
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium
CID 8621940
[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8622226
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium
CID 7425197
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17332249
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636896
(5-bromo-2-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7311451
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622197

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium (CID 8622897) is [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1.
What is the InChIKey of [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium?
The InChIKey is PKGYWWLTMWTNSK-CQSZACIVSA-O. The full InChI is InChI=1S/C19H18BrNO/c1-14(15-5-3-2-4-6-15)21-13-18-11-12-19(22-18)16-7-9-17(20)10-8-16/h2-12,14,21H,13H2,1H3/p+1/t14-/m1/s1.
What are the key properties of [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium?
[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium has a molecular weight of 357.27 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 8622897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).