3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine

C17H19Cl2NO — CID 83974179

IUPAC3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C17H19Cl2NO/c1-11-8-13(21-2)6-7-14(11)12(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,12H,9-10,20H2,1-2H3
InChIKeyKOJIDKASBBSEPE-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.60
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine

3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine (PubChem CID 83974179) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
PubChem CID83974179
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C17H19Cl2NO/c1-11-8-13(21-2)6-7-14(11)12(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,12H,9-10,20H2,1-2H3
InChIKeyKOJIDKASBBSEPE-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
CID 83974181
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974234
3-(2,3-dichlorophenyl)-2-(2,4-dimethoxyphenyl)propan-1-amine
CID 83973145
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
2-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975783
2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 83974204
2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83975308
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine (CID 83974179) is 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine is COc1ccc(C(CN)Cc2c(Cl)cccc2Cl)c(C)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine?
The InChIKey is KOJIDKASBBSEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11-8-13(21-2)6-7-14(11)12(10-20)9-15-16(18)4-3-5-17(15)19/h3-8,12H,9-10,20H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine?
3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 83974179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).