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

C15H12F5N — CID 62964289

IUPACN-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12F5N/c1-2-21-15(8-3-5-10(16)12(18)7-8)9-4-6-11(17)14(20)13(9)19/h3-7,15,21H,2H2,1H3
InChIKeyBQPBFELVXNRTMW-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.08
Rot. Bonds4

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

N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (PubChem CID 62964289) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
PubChem CID62964289
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC NameN-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12F5N/c1-2-21-15(8-3-5-10(16)12(18)7-8)9-4-6-11(17)14(20)13(9)19/h3-7,15,21H,2H2,1H3
InChIKeyBQPBFELVXNRTMW-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.08
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-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
N-[pyrimidin-5-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115827042
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(2,5-dibromothiophen-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43493210
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302
N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62944886
N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105145632
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107539382

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (CID 62964289) is N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The InChIKey is BQPBFELVXNRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c1-2-21-15(8-3-5-10(16)12(18)7-8)9-4-6-11(17)14(20)13(9)19/h3-7,15,21H,2H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine has a molecular weight of 301.26 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 62964289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).