1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride

C21H30ClNO2 — CID 10522764

IUPAC1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride
SMILESCCC[NH2+]C(C)Cc1ccc(OC)c(OCCc2ccccc2)c1.[Cl-]
InChIInChI=1S/C21H29NO2.ClH/c1-4-13-22-17(2)15-19-10-11-20(23-3)21(16-19)24-14-12-18-8-6-5-7-9-18;/h5-11,16-17,22H,4,12-15H2,1-3H3;1H
InChIKeyMSRZZMNRMVUAGQ-UHFFFAOYSA-N
MW363.93 g/mol
LogP0.23
Rot. Bonds10

About 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride

1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride (PubChem CID 10522764) has the molecular formula C21H30ClNO2 and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride
PubChem CID10522764
Molecular FormulaC21H30ClNO2
Molecular Weight363.93 g/mol
Exact Mass363.20
IUPAC Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride
SMILESCCC[NH2+]C(C)Cc1ccc(OC)c(OCCc2ccccc2)c1.[Cl-]
InChIInChI=1S/C21H29NO2.ClH/c1-4-13-22-17(2)15-19-10-11-20(23-3)21(16-19)24-14-12-18-8-6-5-7-9-18;/h5-11,16-17,22H,4,12-15H2,1-3H3;1H
InChIKeyMSRZZMNRMVUAGQ-UHFFFAOYSA-N
XLogP0.23
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene
CID 19606416
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]-N-propylnonan-2-amine
CID 100949068
1-[4-methoxy-3-(2-phenylethoxy)phenyl]-N-propylnonan-2-amine
CID 10811587
1-[4-methoxy-3-(2-phenylethoxy)phenyl]-3-propan-2-ylsulfonylpropan-2-amine;hydrochloride
CID 139726345
2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium
CID 7446050
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
2-(ethoxymethyl)-2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]propanedioic acid
CID 139726344
dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate
CID 142630934
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 7324300
(4-methoxy-3-phenylmethoxyphenyl)methyl-(1-methoxypropan-2-yl)azanium
CID 4745399

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride?
The IUPAC name of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride (CID 10522764) is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride.
What is the SMILES notation for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride?
The canonical SMILES for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride is CCC[NH2+]C(C)Cc1ccc(OC)c(OCCc2ccccc2)c1.[Cl-].
What is the InChIKey of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride?
The InChIKey is MSRZZMNRMVUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2.ClH/c1-4-13-22-17(2)15-19-10-11-20(23-3)21(16-19)24-14-12-18-8-6-5-7-9-18;/h5-11,16-17,22H,4,12-15H2,1-3H3;1H.
What are the key properties of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride?
1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride has a molecular weight of 363.93 g/mol, XLogP of 0.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride is sourced from PubChem (CID 10522764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).