2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine

C16H26FNO — CID 116718011

IUPAC2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
SMILESCCCC(OCC)C(NCC)c1ccc(F)cc1C
InChIInChI=1S/C16H26FNO/c1-5-8-15(19-7-3)16(18-6-2)14-10-9-13(17)11-12(14)4/h9-11,15-16,18H,5-8H2,1-4H3
InChIKeyMGLHQJBXIAVECQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.99
Rot. Bonds8

About 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine

2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine (PubChem CID 116718011) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
PubChem CID116718011
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
SMILESCCCC(OCC)C(NCC)c1ccc(F)cc1C
InChIInChI=1S/C16H26FNO/c1-5-8-15(19-7-3)16(18-6-2)14-10-9-13(17)11-12(14)4/h9-11,15-16,18H,5-8H2,1-4H3
InChIKeyMGLHQJBXIAVECQ-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 116717728
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717986
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 116716584
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972
[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine
CID 105397975
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237
4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
CID 105142729
[2-ethoxy-1-(5-fluoro-2-methoxyphenyl)pentyl]hydrazine
CID 105271459

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine (CID 116718011) is 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine is CCCC(OCC)C(NCC)c1ccc(F)cc1C.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine?
The InChIKey is MGLHQJBXIAVECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-8-15(19-7-3)16(18-6-2)14-10-9-13(17)11-12(14)4/h9-11,15-16,18H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine?
2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine is sourced from PubChem (CID 116718011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).