3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine

C11H15F2NO — CID 117306573

IUPAC3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
SMILESCOc1cc(C(C)CCN)c(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(3-4-14)8-5-11(15-2)10(13)6-9(8)12/h5-7H,3-4,14H2,1-2H3
InChIKeyRJZKPICCFUPRMS-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.43
Rot. Bonds4

About 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine

3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine (PubChem CID 117306573) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
PubChem CID117306573
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
SMILESCOc1cc(C(C)CCN)c(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(3-4-14)8-5-11(15-2)10(13)6-9(8)12/h5-7H,3-4,14H2,1-2H3
InChIKeyRJZKPICCFUPRMS-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418124
N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine
CID 112514733
3-(3-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 117327114
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171213964
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine
CID 84810957
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine?
The IUPAC name of 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine (CID 117306573) is 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine is COc1cc(C(C)CCN)c(F)cc1F.
What is the InChIKey of 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine?
The InChIKey is RJZKPICCFUPRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(3-4-14)8-5-11(15-2)10(13)6-9(8)12/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine?
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 117306573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).