1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine

C18H21F2N — CID 79735816

IUPAC1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cccc(-c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C18H21F2N/c1-4-18(21-5-2)14-8-6-7-13(10-14)15-9-12(3)16(19)11-17(15)20/h6-11,18,21H,4-5H2,1-3H3
InChIKeyRYOAHXFTFIWWGK-UHFFFAOYSA-N
MW289.37 g/mol
LogP5.00
Rot. Bonds5

About 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine

1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine (PubChem CID 79735816) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
PubChem CID79735816
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cccc(-c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C18H21F2N/c1-4-18(21-5-2)14-8-6-7-13(10-14)15-9-12(3)16(19)11-17(15)20/h6-11,18,21H,4-5H2,1-3H3
InChIKeyRYOAHXFTFIWWGK-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.37
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 63423816
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79731856
1-[3-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylpropan-1-amine
CID 107476919
1-[3-(2-bromophenyl)phenyl]-N-ethylpropan-1-amine
CID 115503597
1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine
CID 63424026
1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424857
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
CID 63424528
N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
CID 61033126
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
CID 54911693
N-ethyl-1-(3-pyridin-2-ylphenyl)propan-1-amine
CID 63678693

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine (CID 79735816) is 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1cccc(-c2cc(C)c(F)cc2F)c1.
What is the InChIKey of 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is RYOAHXFTFIWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-18(21-5-2)14-8-6-7-13(10-14)15-9-12(3)16(19)11-17(15)20/h6-11,18,21H,4-5H2,1-3H3.
What are the key properties of 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine?
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 79735816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).