2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine

C15H24FNO — CID 116717728

IUPAC2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1ccc(F)cc1C
InChIInChI=1S/C15H24FNO/c1-5-7-14(18-6-2)15(17-4)13-9-8-12(16)10-11(13)3/h8-10,14-15,17H,5-7H2,1-4H3
InChIKeyCUVPEQCODWSYST-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.60
Rot. Bonds7

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

2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine (PubChem CID 116717728) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
PubChem CID116717728
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1ccc(F)cc1C
InChIInChI=1S/C15H24FNO/c1-5-7-14(18-6-2)15(17-4)13-9-8-12(16)10-11(13)3/h8-10,14-15,17H,5-7H2,1-4H3
InChIKeyCUVPEQCODWSYST-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 116716584
2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 116718011
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
[1-(2-chloro-5-fluorophenyl)-2-ethoxypentyl]hydrazine
CID 105397975
[2-ethoxy-1-(5-fluoro-2-methoxyphenyl)pentyl]hydrazine
CID 105271459
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 107289370
1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
[2-ethoxy-1-(2-fluoro-5-methylphenyl)pentyl]hydrazine
CID 105271295
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine (CID 116717728) is 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine is CCCC(OCC)C(NC)c1ccc(F)cc1C.
What is the InChIKey of 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The InChIKey is CUVPEQCODWSYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-7-14(18-6-2)15(17-4)13-9-8-12(16)10-11(13)3/h8-10,14-15,17H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 116717728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).