1-(2,4-difluorophenyl)-3-methoxypentan-2-amine

C12H17F2NO — CID 116715118

IUPAC1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-3-12(16-2)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11-12H,3,6,15H2,1-2H3
InChIKeyLCEHUSFXHMDKCV-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.26
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine

1-(2,4-difluorophenyl)-3-methoxypentan-2-amine (PubChem CID 116715118) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
PubChem CID116715118
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-3-12(16-2)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11-12H,3,6,15H2,1-2H3
InChIKeyLCEHUSFXHMDKCV-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.26
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
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046
1-(2,4-difluorophenyl)-2-methoxybutan-1-amine
CID 116715202
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
CID 106868787
1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311785
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
1-(2,4-difluorophenyl)butan-2-ylhydrazine
CID 105201098
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
CID 114348131

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine (CID 116715118) is 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine is CCC(OC)C(N)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine?
The InChIKey is LCEHUSFXHMDKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-12(16-2)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11-12H,3,6,15H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine?
1-(2,4-difluorophenyl)-3-methoxypentan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).