N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine

C15H15F2N — CID 62492408

IUPACN-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2ccccc2F)c1
InChIInChI=1S/C15H15F2N/c1-2-18-10-11-7-8-15(17)13(9-11)12-5-3-4-6-14(12)16/h3-9,18H,2,10H2,1H3
InChIKeyBNFOWLLCSAZSFQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.74
Rot. Bonds4

About N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine (PubChem CID 62492408) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
PubChem CID62492408
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2ccccc2F)c1
InChIInChI=1S/C15H15F2N/c1-2-18-10-11-7-8-15(17)13(9-11)12-5-3-4-6-14(12)16/h3-9,18H,2,10H2,1H3
InChIKeyBNFOWLLCSAZSFQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62801471
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]ethanamine
CID 81154048
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
CID 63989003
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine (CID 62492408) is N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2ccccc2F)c1.
What is the InChIKey of N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine?
The InChIKey is BNFOWLLCSAZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-2-18-10-11-7-8-15(17)13(9-11)12-5-3-4-6-14(12)16/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62492408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).