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

C9H11F2N — CID 24690340

IUPACN-[(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2N/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5,12H,2,6H2,1H3
InChIKeyPNIXDBFGGJQWOL-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.07
Rot. Bonds3

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

N-[(3,4-difluorophenyl)methyl]ethanamine (PubChem CID 24690340) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]ethanamine
PubChem CID24690340
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2N/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5,12H,2,6H2,1H3
InChIKeyPNIXDBFGGJQWOL-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[(3,4-difluorophenyl)methyl]but-2-yn-1-amine
CID 62311938
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 63808238
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]ethanamine (CID 24690340) is N-[(3,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]ethanamine is CCNCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]ethanamine?
The InChIKey is PNIXDBFGGJQWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]ethanamine?
N-[(3,4-difluorophenyl)methyl]ethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 24690340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).