1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine

C17H19Cl2N — CID 63526772

IUPAC1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-11-4-5-12(2)13(6-11)9-17(20-3)14-7-15(18)10-16(19)8-14/h4-8,10,17,20H,9H2,1-3H3
InChIKeyUTRRWUNPJPNVQB-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.11
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine

1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine (PubChem CID 63526772) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
PubChem CID63526772
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-11-4-5-12(2)13(6-11)9-17(20-3)14-7-15(18)10-16(19)8-14/h4-8,10,17,20H,9H2,1-3H3
InChIKeyUTRRWUNPJPNVQB-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63418747
2-(2,5-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65298907
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(3-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 79746440
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105101002
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026038

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine (CID 63526772) is 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is UTRRWUNPJPNVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-11-4-5-12(2)13(6-11)9-17(20-3)14-7-15(18)10-16(19)8-14/h4-8,10,17,20H,9H2,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine?
1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63526772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).