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

C15H13Cl3FN — CID 64712464

IUPACN-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl3FN/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
InChIKeyXEQDYZMURIVGDA-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.48
Rot. Bonds4

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

N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 64712464) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID64712464
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC NameN-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl3FN/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
InChIKeyXEQDYZMURIVGDA-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(4-chloro-2,5-dimethylphenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 81267229
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 105399020
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
N-[(3-chloro-2-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878168
N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 81265394
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine (CID 64712464) is N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1F)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is XEQDYZMURIVGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/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-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine?
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine has a molecular weight of 332.63 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 64712464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).