N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine

C15H12Cl2F3N — CID 115855132

IUPACN-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2F3N/c1-2-21-15(12-9(16)4-3-5-10(12)17)8-6-7-11(18)14(20)13(8)19/h3-7,15,21H,2H2,1H3
InChIKeyAYDNPDOLFAUYCV-UHFFFAOYSA-N
MW334.17 g/mol
LogP5.11
Rot. Bonds4

About N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine

N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (PubChem CID 115855132) has the molecular formula C15H12Cl2F3N and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
PubChem CID115855132
Molecular FormulaC15H12Cl2F3N
Molecular Weight334.17 g/mol
Exact Mass333.03
IUPAC NameN-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2F3N/c1-2-21-15(12-9(16)4-3-5-10(12)17)8-6-7-11(18)14(20)13(8)19/h3-7,15,21H,2H2,1H3
InChIKeyAYDNPDOLFAUYCV-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.17
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62944886
N-[(3-bromo-2-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855252
N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 106692004
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
N-[(3-chloro-2-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878168
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 106647833

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (CID 115855132) is N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1F)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The InChIKey is AYDNPDOLFAUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N/c1-2-21-15(12-9(16)4-3-5-10(12)17)8-6-7-11(18)14(20)13(8)19/h3-7,15,21H,2H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine has a molecular weight of 334.17 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115855132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).