3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine

C11H15F2NO — CID 83886567

IUPAC3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine
SMILESCCOc1c(F)cc(F)cc1CCCN
InChIInChI=1S/C11H15F2NO/c1-2-15-11-8(4-3-5-14)6-9(12)7-10(11)13/h6-7H,2-5,14H2,1H3
InChIKeyCJYSTMCKJTWTHH-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.25
Rot. Bonds5

About 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine

3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine (PubChem CID 83886567) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine
PubChem CID83886567
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine
SMILESCCOc1c(F)cc(F)cc1CCCN
InChIInChI=1S/C11H15F2NO/c1-2-15-11-8(4-3-5-14)6-9(12)7-10(11)13/h6-7H,2-5,14H2,1H3
InChIKeyCJYSTMCKJTWTHH-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
3-(3-tert-butyl-2,5-diethoxyphenyl)propan-1-amine
CID 21497981
4-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288653
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
1-[(2-ethoxy-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385910
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
CID 83887419
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine?
The IUPAC name of 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine (CID 83886567) is 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine is CCOc1c(F)cc(F)cc1CCCN.
What is the InChIKey of 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine?
The InChIKey is CJYSTMCKJTWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-15-11-8(4-3-5-14)6-9(12)7-10(11)13/h6-7H,2-5,14H2,1H3.
What are the key properties of 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine?
3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine is sourced from PubChem (CID 83886567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).