2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine

C11H16FNO2 — CID 84782781

IUPAC2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(C)CN)c(OC)c1F
InChIInChI=1S/C11H16FNO2/c1-7(6-13)8-4-5-9(14-2)10(12)11(8)15-3/h4-5,7H,6,13H2,1-3H3
InChIKeyOSIDYFYWAKMELU-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.91
Rot. Bonds4

About 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine

2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine (PubChem CID 84782781) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
PubChem CID84782781
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(C)CN)c(OC)c1F
InChIInChI=1S/C11H16FNO2/c1-7(6-13)8-4-5-9(14-2)10(12)11(8)15-3/h4-5,7H,6,13H2,1-3H3
InChIKeyOSIDYFYWAKMELU-UHFFFAOYSA-N
XLogP1.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
CID 117331001
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
CID 117407315
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine (CID 84782781) is 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine is COc1ccc(C(C)CN)c(OC)c1F.
What is the InChIKey of 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine?
The InChIKey is OSIDYFYWAKMELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-7(6-13)8-4-5-9(14-2)10(12)11(8)15-3/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine?
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine has a molecular weight of 213.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 84782781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).