N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine

C17H19Cl2N — CID 43487938

IUPACN-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyLIKXROYQCCLSQL-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.31
Rot. Bonds4

About N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine

N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 43487938) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
PubChem CID43487938
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyLIKXROYQCCLSQL-UHFFFAOYSA-N
XLogP5.31
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 ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
N-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107539382
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine (CID 43487938) is N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is LIKXROYQCCLSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43487938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).