3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine

C14H22FNO — CID 105374355

IUPAC3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
SMILESCCOC(CC)C(N)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FNO/c1-4-14(17-5-2)13(16)9-11-8-12(15)7-6-10(11)3/h6-8,13-14H,4-5,9,16H2,1-3H3
InChIKeyRFLGMZKHOUXJBX-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.82
Rot. Bonds6

About 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine

3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine (PubChem CID 105374355) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
PubChem CID105374355
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
SMILESCCOC(CC)C(N)Cc1cc(F)ccc1C
InChIInChI=1S/C14H22FNO/c1-4-14(17-5-2)13(16)9-11-8-12(15)7-6-10(11)3/h6-8,13-14H,4-5,9,16H2,1-3H3
InChIKeyRFLGMZKHOUXJBX-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351
3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
CID 79495766
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046
1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
CID 116715118
3-(2-chloro-5-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 102619111
3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine?
The IUPAC name of 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine (CID 105374355) is 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine is CCOC(CC)C(N)Cc1cc(F)ccc1C.
What is the InChIKey of 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine?
The InChIKey is RFLGMZKHOUXJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-14(17-5-2)13(16)9-11-8-12(15)7-6-10(11)3/h6-8,13-14H,4-5,9,16H2,1-3H3.
What are the key properties of 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine?
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine is sourced from PubChem (CID 105374355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).