1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine

C16H17Cl2N — CID 63526721

IUPAC1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-11-3-5-12(6-4-11)7-16(19-2)13-8-14(17)10-15(18)9-13/h3-6,8-10,16,19H,7H2,1-2H3
InChIKeyFFVMCPQAANFIDC-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.81
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 63526721) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID63526721
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-11-3-5-12(6-4-11)7-16(19-2)13-8-14(17)10-15(18)9-13/h3-6,8-10,16,19H,7H2,1-2H3
InChIKeyFFVMCPQAANFIDC-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63526772
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 63527053
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104510
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 107945076
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63411987

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 63526721) is 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is FFVMCPQAANFIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11-3-5-12(6-4-11)7-16(19-2)13-8-14(17)10-15(18)9-13/h3-6,8-10,16,19H,7H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 294.23 g/mol, XLogP of 4.81, 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)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63526721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).