2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium

C19H25ClNO2+ — CID 7446050

IUPAC2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium
SMILESCOc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H24ClNO2/c1-14(21-10-9-15-5-4-6-17(20)12-15)11-16-7-8-18(22-2)19(13-16)23-3/h4-8,12-14,21H,9-11H2,1-3H3/p+1/t14-/m1/s1
InChIKeyZOYFTYFFKMZGGJ-CQSZACIVSA-O
MW334.87 g/mol
LogP3.09
Rot. Bonds8

About 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium

2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium (PubChem CID 7446050) has the molecular formula C19H25ClNO2+ and a molecular weight of 334.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium
PubChem CID7446050
Molecular FormulaC19H25ClNO2+
Molecular Weight334.87 g/mol
Exact Mass334.16
IUPAC Name2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium
SMILESCOc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H24ClNO2/c1-14(21-10-9-15-5-4-6-17(20)12-15)11-16-7-8-18(22-2)19(13-16)23-3/h4-8,12-14,21H,9-11H2,1-3H3/p+1/t14-/m1/s1
InChIKeyZOYFTYFFKMZGGJ-CQSZACIVSA-O
XLogP3.09
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 7446049
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 11222686
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 3052546
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride
CID 10522764
1-[(3-chlorophenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4754999
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 60819659
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine
CID 62600121
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium?
The IUPAC name of 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium (CID 7446050) is 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium?
The canonical SMILES for 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium is COc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium?
The InChIKey is ZOYFTYFFKMZGGJ-CQSZACIVSA-O. The full InChI is InChI=1S/C19H24ClNO2/c1-14(21-10-9-15-5-4-6-17(20)12-15)11-16-7-8-18(22-2)19(13-16)23-3/h4-8,12-14,21H,9-11H2,1-3H3/p+1/t14-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium?
2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium has a molecular weight of 334.87 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium is sourced from PubChem (CID 7446050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).