2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine

C17H19Cl2NO2 — CID 83975308

IUPAC2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(OC)c(CC(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H19Cl2NO2/c1-21-13-6-7-16(22-2)11(9-13)8-12(10-20)17-14(18)4-3-5-15(17)19/h3-7,9,12H,8,10,20H2,1-2H3
InChIKeyZLRHGEGNUIOUMJ-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.30
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine

2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine (PubChem CID 83975308) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
PubChem CID83975308
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(OC)c(CC(CN)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H19Cl2NO2/c1-21-13-6-7-16(22-2)11(9-13)8-12(10-20)17-14(18)4-3-5-15(17)19/h3-7,9,12H,8,10,20H2,1-2H3
InChIKeyZLRHGEGNUIOUMJ-UHFFFAOYSA-N
XLogP4.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dichlorophenyl)-2-(2,4-dimethoxyphenyl)propan-1-amine
CID 83973145
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
CID 82141576
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
methyl 2-(aminomethyl)-3-(2,5-dimethoxyphenyl)propanoate
CID 43148171
3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974179
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
CID 79441367

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine (CID 83975308) is 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine is COc1ccc(OC)c(CC(CN)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine?
The InChIKey is ZLRHGEGNUIOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-21-13-6-7-16(22-2)11(9-13)8-12(10-20)17-14(18)4-3-5-15(17)19/h3-7,9,12H,8,10,20H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine?
2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine has a molecular weight of 340.25 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83975308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).