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

C15H13Cl4N — CID 115851351

IUPACN-[bis(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl4N/c1-2-20-15(9-5-3-7-11(16)13(9)18)10-6-4-8-12(17)14(10)19/h3-8,15,20H,2H2,1H3
InChIKeyOJQIZBXDECKHOM-UHFFFAOYSA-N
MW349.09 g/mol
LogP6.00
Rot. Bonds4

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

N-[bis(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 115851351) has the molecular formula C15H13Cl4N and a molecular weight of 349.09 g/mol. Its IUPAC name is N-[bis(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[bis(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID115851351
Molecular FormulaC15H13Cl4N
Molecular Weight349.09 g/mol
Exact Mass346.98
IUPAC NameN-[bis(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl4N/c1-2-20-15(9-5-3-7-11(16)13(9)18)10-6-4-8-12(17)14(10)19/h3-8,15,20H,2H2,1H3
InChIKeyOJQIZBXDECKHOM-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-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43490022
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
CID 115851391
N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63413138
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854889
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755221

Frequently Asked Questions

What is the IUPAC name of N-[bis(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[bis(2,3-dichlorophenyl)methyl]ethanamine (CID 115851351) is N-[bis(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[bis(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[bis(2,3-dichlorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[bis(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is OJQIZBXDECKHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N/c1-2-20-15(9-5-3-7-11(16)13(9)18)10-6-4-8-12(17)14(10)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[bis(2,3-dichlorophenyl)methyl]ethanamine?
N-[bis(2,3-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(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 115851351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).