2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine

C15H24FNO — CID 116758965

IUPAC2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C15H24FNO/c1-6-15(4,18-7-2)14(17-5)12-8-11(3)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3
InChIKeyQKIMLYNMPUWLFX-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.60
Rot. Bonds6

About 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine

2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine (PubChem CID 116758965) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
PubChem CID116758965
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C15H24FNO/c1-6-15(4,18-7-2)14(17-5)12-8-11(3)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3
InChIKeyQKIMLYNMPUWLFX-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 79703280
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
2-ethoxy-N,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116758763
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
1-(3-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79704721
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
CID 116758813
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 116758744
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757755
2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116758712
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine (CID 116758965) is 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine is CCOC(C)(CC)C(NC)c1cc(C)cc(F)c1.
What is the InChIKey of 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is QKIMLYNMPUWLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-15(4,18-7-2)14(17-5)12-8-11(3)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine?
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116758965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).