N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine

C15H13Cl4N — CID 43492862

IUPACN-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl4N/c1-2-20-15(9-3-4-13(18)14(19)7-9)10-5-11(16)8-12(17)6-10/h3-8,15,20H,2H2,1H3
InChIKeyLKMSYQJZMYONJB-UHFFFAOYSA-N
MW349.09 g/mol
LogP6.00
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine

N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine (PubChem CID 43492862) has the molecular formula C15H13Cl4N and a molecular weight of 349.09 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
PubChem CID43492862
Molecular FormulaC15H13Cl4N
Molecular Weight349.09 g/mol
Exact Mass346.98
IUPAC NameN-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl4N/c1-2-20-15(9-3-4-13(18)14(19)7-9)10-5-11(16)8-12(17)6-10/h3-8,15,20H,2H2,1H3
InChIKeyLKMSYQJZMYONJB-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.09
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(3-bromo-5-methylphenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 104851219
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492810
N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315754
N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503764
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine (CID 43492862) is N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine is CCNC(c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is LKMSYQJZMYONJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N/c1-2-20-15(9-3-4-13(18)14(19)7-9)10-5-11(16)8-12(17)6-10/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine?
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 349.09 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43492862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).