2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine

C13H20FNO2 — CID 117355507

IUPAC2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
SMILESCOc1cc(F)c(C(C)(C)N)cc1OC(C)C
InChIInChI=1S/C13H20FNO2/c1-8(2)17-12-6-9(13(3,4)15)10(14)7-11(12)16-5/h6-8H,15H2,1-5H3
InChIKeyLFSMBCGDOKIOIS-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.82
Rot. Bonds4

About 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine

2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine (PubChem CID 117355507) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
PubChem CID117355507
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
SMILESCOc1cc(F)c(C(C)(C)N)cc1OC(C)C
InChIInChI=1S/C13H20FNO2/c1-8(2)17-12-6-9(13(3,4)15)10(14)7-11(12)16-5/h6-8H,15H2,1-5H3
InChIKeyLFSMBCGDOKIOIS-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
CID 117386623
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 79830501
2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol
CID 117400657
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
CID 117433363
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
CID 117357480
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine?
The IUPAC name of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine (CID 117355507) is 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine is COc1cc(F)c(C(C)(C)N)cc1OC(C)C.
What is the InChIKey of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine?
The InChIKey is LFSMBCGDOKIOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-8(2)17-12-6-9(13(3,4)15)10(14)7-11(12)16-5/h6-8H,15H2,1-5H3.
What are the key properties of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine?
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine is sourced from PubChem (CID 117355507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).