1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine

C16H16F3NO — CID 105035587

IUPAC1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2cccc(F)c2F)c1F
InChIInChI=1S/C16H16F3NO/c1-21-14-7-3-5-11(16(14)19)9-12(20)8-10-4-2-6-13(17)15(10)18/h2-7,12H,8-9,20H2,1H3
InChIKeyCEGVUNVFZDVMHC-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.22
Rot. Bonds5

About 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine

1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine (PubChem CID 105035587) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
PubChem CID105035587
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2cccc(F)c2F)c1F
InChIInChI=1S/C16H16F3NO/c1-21-14-7-3-5-11(16(14)19)9-12(20)8-10-4-2-6-13(17)15(10)18/h2-7,12H,8-9,20H2,1H3
InChIKeyCEGVUNVFZDVMHC-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2-fluoro-3-methoxyphenyl)-4-propoxybutan-2-amine
CID 105180608
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
CID 104794588
3-(2,3-difluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79493337
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine (CID 105035587) is 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine is COc1cccc(CC(N)Cc2cccc(F)c2F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine?
The InChIKey is CEGVUNVFZDVMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-21-14-7-3-5-11(16(14)19)9-12(20)8-10-4-2-6-13(17)15(10)18/h2-7,12H,8-9,20H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine?
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine has a molecular weight of 295.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 105035587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).