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

C17H19Cl2N — CID 43490022

IUPACN-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-4-20-17(13-9-8-11(2)10-12(13)3)14-6-5-7-15(18)16(14)19/h5-10,17,20H,4H2,1-3H3
InChIKeyGXEZZIRKWAXFKH-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.31
Rot. Bonds4

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

N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine (PubChem CID 43490022) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
PubChem CID43490022
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-4-20-17(13-9-8-11(2)10-12(13)3)14-6-5-7-15(18)16(14)19/h5-10,17,20H,4H2,1-3H3
InChIKeyGXEZZIRKWAXFKH-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-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 106647623
N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989854
N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 81324084
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine (CID 43490022) is N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1C)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is GXEZZIRKWAXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-4-20-17(13-9-8-11(2)10-12(13)3)14-6-5-7-15(18)16(14)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(2,4-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-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43490022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).