1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine

C11H15F2N — CID 107513182

IUPAC1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(C)c(F)c1F
InChIInChI=1S/C11H15F2N/c1-4-14-8(3)9-6-5-7(2)10(12)11(9)13/h5-6,8,14H,4H2,1-3H3
InChIKeyXJIRPKMOUPGURN-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine

1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine (PubChem CID 107513182) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
PubChem CID107513182
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(C)c(F)c1F
InChIInChI=1S/C11H15F2N/c1-4-14-8(3)9-6-5-7(2)10(12)11(9)13/h5-6,8,14H,4H2,1-3H3
InChIKeyXJIRPKMOUPGURN-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
N-[(2,3-difluoro-4-methylphenyl)-(2,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 107515330
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 107515352
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
CID 107513225
1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
N-[(2,3-difluoro-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 107515906
N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
CID 107515358
N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine (CID 107513182) is 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine is CCNC(C)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine?
The InChIKey is XJIRPKMOUPGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-4-14-8(3)9-6-5-7(2)10(12)11(9)13/h5-6,8,14H,4H2,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine?
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine has a molecular weight of 199.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 107513182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).