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

C15H13ClF3N — CID 43490422

IUPACN-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H13ClF3N/c1-2-20-15(9-3-5-10(16)6-4-9)14-12(18)7-11(17)8-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeyHPPTVINVZLBTMJ-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.46
Rot. Bonds4

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

N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine (PubChem CID 43490422) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
PubChem CID43490422
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC NameN-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H13ClF3N/c1-2-20-15(9-3-5-10(16)6-4-9)14-12(18)7-11(17)8-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeyHPPTVINVZLBTMJ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[(3-bromo-2,6-difluorophenyl)-(4-chlorophenyl)methyl]ethanamine
CID 106942191
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503764
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489376
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine (CID 43490422) is N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
The InChIKey is HPPTVINVZLBTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-2-20-15(9-3-5-10(16)6-4-9)14-12(18)7-11(17)8-13(14)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine?
N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43490422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).