(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium

C18H23ClNO2+ — CID 7427771

IUPAC(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
SMILESCOc1ccc(CC[NH+](C)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H22ClNO2/c1-20(13-15-6-4-5-7-16(15)19)11-10-14-8-9-17(21-2)18(12-14)22-3/h4-9,12H,10-11,13H2,1-3H3/p+1
InChIKeyOLCZQXYOTFTNFU-UHFFFAOYSA-O
MW320.84 g/mol
LogP2.61
Rot. Bonds7

About (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium

(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium (PubChem CID 7427771) has the molecular formula C18H23ClNO2+ and a molecular weight of 320.84 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
PubChem CID7427771
Molecular FormulaC18H23ClNO2+
Molecular Weight320.84 g/mol
Exact Mass320.14
IUPAC Name(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
SMILESCOc1ccc(CC[NH+](C)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H22ClNO2/c1-20(13-15-6-4-5-7-16(15)19)11-10-14-8-9-17(21-2)18(12-14)22-3/h4-9,12H,10-11,13H2,1-3H3/p+1
InChIKeyOLCZQXYOTFTNFU-UHFFFAOYSA-O
XLogP2.61
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium
CID 2227478
2-(3,4-dimethoxyphenyl)ethyl-methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 6962088
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
2-[2-(2-chlorophenyl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111044372
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66534310
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 9461329
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26515600
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290505
1-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111175564
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290516

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The IUPAC name of (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium (CID 7427771) is (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The canonical SMILES for (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium is COc1ccc(CC[NH+](C)Cc2ccccc2Cl)cc1OC.
What is the InChIKey of (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
The InChIKey is OLCZQXYOTFTNFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22ClNO2/c1-20(13-15-6-4-5-7-16(15)19)11-10-14-8-9-17(21-2)18(12-14)22-3/h4-9,12H,10-11,13H2,1-3H3/p+1.
What are the key properties of (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium?
(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium has a molecular weight of 320.84 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium is sourced from PubChem (CID 7427771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).