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

C15H14F3N — CID 61033140

IUPACN-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H14F3N/c1-2-19-9-10-3-5-13(16)12(7-10)11-4-6-14(17)15(18)8-11/h3-8,19H,2,9H2,1H3
InChIKeyDNUVUCJKFPCQHU-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.88
Rot. Bonds4

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

N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine (PubChem CID 61033140) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
PubChem CID61033140
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H14F3N/c1-2-19-9-10-3-5-13(16)12(7-10)11-4-6-14(17)15(18)8-11/h3-8,19H,2,9H2,1H3
InChIKeyDNUVUCJKFPCQHU-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62801471
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209284

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine (CID 61033140) is N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine?
The InChIKey is DNUVUCJKFPCQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-19-9-10-3-5-13(16)12(7-10)11-4-6-14(17)15(18)8-11/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine?
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 61033140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).