N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine

C17H19Cl2N — CID 115850439

IUPACN-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1cccc(C)c1C
InChIInChI=1S/C17H19Cl2N/c1-4-20-17(13-8-14(18)10-15(19)9-13)16-7-5-6-11(2)12(16)3/h5-10,17,20H,4H2,1-3H3
InChIKeyZUPHEYKCDZNVJE-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.31
Rot. Bonds4

About N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine

N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 115850439) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID115850439
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1cccc(C)c1C
InChIInChI=1S/C17H19Cl2N/c1-4-20-17(13-8-14(18)10-15(19)9-13)16-7-5-6-11(2)12(16)3/h5-10,17,20H,4H2,1-3H3
InChIKeyZUPHEYKCDZNVJE-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-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107945601
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491156
N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489235
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 106691892
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine (CID 115850439) is N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Cl)c1)c1cccc(C)c1C.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is ZUPHEYKCDZNVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-4-20-17(13-8-14(18)10-15(19)9-13)16-7-5-6-11(2)12(16)3/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
N-[(3,5-dichlorophenyl)-(2,3-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-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115850439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).