2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine

C10H13F2NO — CID 84776186

IUPAC2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1c(F)cc(C(C)(C)N)cc1F
InChIInChI=1S/C10H13F2NO/c1-10(2,13)6-4-7(11)9(14-3)8(12)5-6/h4-5H,13H2,1-3H3
InChIKeyLSUYRWCMURRULW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.17
Rot. Bonds2

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

2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine (PubChem CID 84776186) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
PubChem CID84776186
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
SMILESCOc1c(F)cc(C(C)(C)N)cc1F
InChIInChI=1S/C10H13F2NO/c1-10(2,13)6-4-7(11)9(14-3)8(12)5-6/h4-5H,13H2,1-3H3
InChIKeyLSUYRWCMURRULW-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
CID 117287323
1,3-difluoro-2-methoxy-5-(2-methylbutan-2-yl)benzene
CID 146480194
2-(3,4,5-trifluorophenyl)propan-2-amine;hydrochloride
CID 154857245
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
CID 117311862
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-amine
CID 117407303
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
CID 117306665
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
3,5-difluoro-4-methoxybenzenethiol
CID 50998081
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290502
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine
CID 117420420

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine (CID 84776186) is 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine is COc1c(F)cc(C(C)(C)N)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine?
The InChIKey is LSUYRWCMURRULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-10(2,13)6-4-7(11)9(14-3)8(12)5-6/h4-5H,13H2,1-3H3.
What are the key properties of 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine?
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine has a molecular weight of 201.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 84776186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).