N-[(2,5-difluorophenyl)methyl]ethanamine

C9H11F2N — CID 43163700

IUPACN-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNCc1cc(F)ccc1F
InChIInChI=1S/C9H11F2N/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyJZHBSKFEBVCESD-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.07
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]ethanamine

N-[(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 43163700) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]ethanamine
PubChem CID43163700
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCCNCc1cc(F)ccc1F
InChIInChI=1S/C9H11F2N/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyJZHBSKFEBVCESD-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

Analyze N-[(2,5-difluorophenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine
CID 43590720
methyl 2-[(2,5-difluorophenyl)methylamino]acetate
CID 43312522
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 60957947

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]ethanamine (CID 43163700) is N-[(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]ethanamine is CCNCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is JZHBSKFEBVCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]ethanamine?
N-[(2,5-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-[(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43163700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).