1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine

C16H25F2NO — CID 107513831

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H25F2NO/c1-5-8-13(20-7-3)16(19-6-2)12-10-9-11(4)14(17)15(12)18/h9-10,13,16,19H,5-8H2,1-4H3
InChIKeyPLAWJCFWULGKJJ-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.13
Rot. Bonds8

About 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine

1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine (PubChem CID 107513831) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
PubChem CID107513831
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H25F2NO/c1-5-8-13(20-7-3)16(19-6-2)12-10-9-11(4)14(17)15(12)18/h9-10,13,16,19H,5-8H2,1-4H3
InChIKeyPLAWJCFWULGKJJ-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 116718011
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717986
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 116717728
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717024
1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine
CID 107516521
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine (CID 107513831) is 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine is CCCC(OCC)C(NCC)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine?
The InChIKey is PLAWJCFWULGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-8-13(20-7-3)16(19-6-2)12-10-9-11(4)14(17)15(12)18/h9-10,13,16,19H,5-8H2,1-4H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine?
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine is sourced from PubChem (CID 107513831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).