1-(3,4-difluorophenyl)-N-ethylpropan-2-amine

C11H15F2N — CID 24936146

IUPAC1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2N/c1-3-14-8(2)6-9-4-5-10(12)11(13)7-9/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyYMPOYJBETDMIAU-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.51
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine

1-(3,4-difluorophenyl)-N-ethylpropan-2-amine (PubChem CID 24936146) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
PubChem CID24936146
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2N/c1-3-14-8(2)6-9-4-5-10(12)11(13)7-9/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyYMPOYJBETDMIAU-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115849967
1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 105004706
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720190
N-[3-(4-tert-butylphenyl)propyl]-1-(3,4-difluorophenyl)propan-2-amine
CID 165377963
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine (CID 24936146) is 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is YMPOYJBETDMIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-14-8(2)6-9-4-5-10(12)11(13)7-9/h4-5,7-8,14H,3,6H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine?
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 24936146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).