[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium

C15H19ClNO2+ — CID 7450449

IUPAC[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium
SMILESCC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H18ClNO2/c1-2-11(10-18)17-9-12-7-8-15(19-12)13-5-3-4-6-14(13)16/h3-8,11,17-18H,2,9-10H2,1H3/p+1/t11-/m1/s1
InChIKeySEZMSQPZBPOVDG-LLVKDONJSA-O
MW280.77 g/mol
LogP2.43
Rot. Bonds6

About [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium

[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium (PubChem CID 7450449) has the molecular formula C15H19ClNO2+ and a molecular weight of 280.77 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium
PubChem CID7450449
Molecular FormulaC15H19ClNO2+
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium
SMILESCC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H18ClNO2/c1-2-11(10-18)17-9-12-7-8-15(19-12)13-5-3-4-6-14(13)16/h3-8,11,17-18H,2,9-10H2,1H3/p+1/t11-/m1/s1
InChIKeySEZMSQPZBPOVDG-LLVKDONJSA-O
XLogP2.43
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425147
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425244
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8636961
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724276
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine
CID 170878490
(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622071
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
(1S)-1-[5-(2-chlorophenyl)furan-2-yl]ethanol
CID 102192435
1-[5-(2-chlorophenyl)furan-2-yl]ethanol
CID 62497927
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 6471479

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium (CID 7450449) is [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium is CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium?
The InChIKey is SEZMSQPZBPOVDG-LLVKDONJSA-O. The full InChI is InChI=1S/C15H18ClNO2/c1-2-11(10-18)17-9-12-7-8-15(19-12)13-5-3-4-6-14(13)16/h3-8,11,17-18H,2,9-10H2,1H3/p+1/t11-/m1/s1.
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium?
[5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium has a molecular weight of 280.77 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium is sourced from PubChem (CID 7450449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).