(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium

C20H21ClNO2+ — CID 8638991

IUPAC(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
SMILESC[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H20ClNO2/c1-14(23)15-6-8-16(9-7-15)20-11-10-18(24-20)13-22-12-17-4-2-3-5-19(17)21/h2-11,14,22-23H,12-13H2,1H3/p+1/t14-/m0/s1
InChIKeyHZCWQBJUNNBCOE-AWEZNQCLSA-O
MW342.85 g/mol
LogP3.92
Rot. Bonds6

About (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium

(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium (PubChem CID 8638991) has the molecular formula C20H21ClNO2+ and a molecular weight of 342.85 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
PubChem CID8638991
Molecular FormulaC20H21ClNO2+
Molecular Weight342.85 g/mol
Exact Mass342.13
IUPAC Name(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
SMILESC[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H20ClNO2/c1-14(23)15-6-8-16(9-7-15)20-11-10-18(24-20)13-22-12-17-4-2-3-5-19(17)21/h2-11,14,22-23H,12-13H2,1H3/p+1/t14-/m0/s1
InChIKeyHZCWQBJUNNBCOE-AWEZNQCLSA-O
XLogP3.92
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium with MolForge

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Related Compounds

(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636553
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium
CID 7425319
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8639360
(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
[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 8639058
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425278
cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 7425297
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7263979
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium (CID 8638991) is (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium is C[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1.
What is the InChIKey of (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium?
The InChIKey is HZCWQBJUNNBCOE-AWEZNQCLSA-O. The full InChI is InChI=1S/C20H20ClNO2/c1-14(23)15-6-8-16(9-7-15)20-11-10-18(24-20)13-22-12-17-4-2-3-5-19(17)21/h2-11,14,22-23H,12-13H2,1H3/p+1/t14-/m0/s1.
What are the key properties of (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium?
(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium has a molecular weight of 342.85 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium is sourced from PubChem (CID 8638991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).