2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine

C16H17F2NO2 — CID 63036757

IUPAC2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)Oc2cccc(F)c2F)cc1
InChIInChI=1S/C16H17F2NO2/c1-10(21-14-5-3-4-13(17)15(14)18)16(19)11-6-8-12(20-2)9-7-11/h3-10,16H,19H2,1-2H3
InChIKeyNXJYIXJNXXKANY-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.44
Rot. Bonds5

About 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine

2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 63036757) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine
PubChem CID63036757
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)Oc2cccc(F)c2F)cc1
InChIInChI=1S/C16H17F2NO2/c1-10(21-14-5-3-4-13(17)15(14)18)16(19)11-6-8-12(20-2)9-7-11/h3-10,16H,19H2,1-2H3
InChIKeyNXJYIXJNXXKANY-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 63037095
1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine
CID 16792562
1-(4-fluorophenyl)-2-phenoxypropan-1-amine
CID 16782575
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
2-(2,3-difluorophenoxy)propanamide
CID 63038540
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 43184137
1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
CID 63802336
1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
CID 63036952
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine (CID 63036757) is 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine is COc1ccc(C(N)C(C)Oc2cccc(F)c2F)cc1.
What is the InChIKey of 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is NXJYIXJNXXKANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10(21-14-5-3-4-13(17)15(14)18)16(19)11-6-8-12(20-2)9-7-11/h3-10,16H,19H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine?
2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 293.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 63036757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).