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

C15H13Cl4N — CID 43493009

IUPACN-[bis(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl4N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3
InChIKeyPARAKTUQSXNAPG-UHFFFAOYSA-N
MW349.09 g/mol
LogP6.00
Rot. Bonds4

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

N-[bis(2,5-dichlorophenyl)methyl]ethanamine (PubChem CID 43493009) has the molecular formula C15H13Cl4N and a molecular weight of 349.09 g/mol. Its IUPAC name is N-[bis(2,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[bis(2,5-dichlorophenyl)methyl]ethanamine
PubChem CID43493009
Molecular FormulaC15H13Cl4N
Molecular Weight349.09 g/mol
Exact Mass346.98
IUPAC NameN-[bis(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl4N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3
InChIKeyPARAKTUQSXNAPG-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-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 43491967
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105142190
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(2,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561449
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 102763885
N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79985462
N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105142310

Frequently Asked Questions

What is the IUPAC name of N-[bis(2,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[bis(2,5-dichlorophenyl)methyl]ethanamine (CID 43493009) is N-[bis(2,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[bis(2,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[bis(2,5-dichlorophenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[bis(2,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is PARAKTUQSXNAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N/c1-2-20-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[bis(2,5-dichlorophenyl)methyl]ethanamine?
N-[bis(2,5-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-[bis(2,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43493009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).