2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium

C16H21ClNO3+ — CID 2110408

IUPAC2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium
SMILESO[C@H](C[NH2+]CCc1ccc(Cl)cc1)COCc1ccco1
InChIInChI=1S/C16H20ClNO3/c17-14-5-3-13(4-6-14)7-8-18-10-15(19)11-20-12-16-2-1-9-21-16/h1-6,9,15,18-19H,7-8,10-12H2/p+1/t15-/m1/s1
InChIKeyHJDMWHWAKURTBT-OAHLLOKOSA-O
MW310.80 g/mol
LogP1.62
Rot. Bonds9

About 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium

2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium (PubChem CID 2110408) has the molecular formula C16H21ClNO3+ and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium
PubChem CID2110408
Molecular FormulaC16H21ClNO3+
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium
SMILESO[C@H](C[NH2+]CCc1ccc(Cl)cc1)COCc1ccco1
InChIInChI=1S/C16H20ClNO3/c17-14-5-3-13(4-6-14)7-8-18-10-15(19)11-20-12-16-2-1-9-21-16/h1-6,9,15,18-19H,7-8,10-12H2/p+1/t15-/m1/s1
InChIKeyHJDMWHWAKURTBT-OAHLLOKOSA-O
XLogP1.62
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110885671
1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109412981
benzyl-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
CID 2359138
2-(4-chlorophenyl)ethyl-[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium
CID 2502105
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)azanium
CID 2409087
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
2-[[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-(furan-2-ylmethyl)amino]methyl]phenol
CID 7872390
2-(furan-2-ylmethoxymethyl)furan;propane-1,2,3-triol
CID 174940429
1-[1-(3-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110898142
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium?
The IUPAC name of 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium (CID 2110408) is 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium?
The canonical SMILES for 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium is O[C@H](C[NH2+]CCc1ccc(Cl)cc1)COCc1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium?
The InChIKey is HJDMWHWAKURTBT-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H20ClNO3/c17-14-5-3-13(4-6-14)7-8-18-10-15(19)11-20-12-16-2-1-9-21-16/h1-6,9,15,18-19H,7-8,10-12H2/p+1/t15-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium?
2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium has a molecular weight of 310.80 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium is sourced from PubChem (CID 2110408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).