[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

C21H27ClNO3+ — CID 7263188

IUPAC[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H26ClNO3/c1-2-24-21-12-16(13-23-14-18-7-5-11-25-18)9-10-20(21)26-15-17-6-3-4-8-19(17)22/h3-4,6,8-10,12,18,23H,2,5,7,11,13-15H2,1H3/p+1/t18-/m1/s1
InChIKeyASPJIYNHLTZHRM-GOSISDBHSA-O
MW376.90 g/mol
LogP3.56
Rot. Bonds9

About [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 7263188) has the molecular formula C21H27ClNO3+ and a molecular weight of 376.90 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID7263188
Molecular FormulaC21H27ClNO3+
Molecular Weight376.90 g/mol
Exact Mass376.17
IUPAC Name[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H26ClNO3/c1-2-24-21-12-16(13-23-14-18-7-5-11-25-18)9-10-20(21)26-15-17-6-3-4-8-19(17)22/h3-4,6,8-10,12,18,23H,2,5,7,11,13-15H2,1H3/p+1/t18-/m1/s1
InChIKeyASPJIYNHLTZHRM-GOSISDBHSA-O
XLogP3.56
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.90
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7458193
[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7462394
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51992842
N-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51992922
N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215470
4-[[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylazaniumyl]methyl]benzoate
CID 27279450
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7324545
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 4721597
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27137804
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17055819

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium (CID 7263188) is [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium is CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1Cl.
What is the InChIKey of [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is ASPJIYNHLTZHRM-GOSISDBHSA-O. The full InChI is InChI=1S/C21H26ClNO3/c1-2-24-21-12-16(13-23-14-18-7-5-11-25-18)9-10-20(21)26-15-17-6-3-4-8-19(17)22/h3-4,6,8-10,12,18,23H,2,5,7,11,13-15H2,1H3/p+1/t18-/m1/s1.
What are the key properties of [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 376.90 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7263188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).