1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine

C17H19F2NO — CID 115958090

IUPAC1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-11-5-3-6-13(9-12(2)20)17(11)21-10-14-7-4-8-15(18)16(14)19/h3-8,12H,9-10,20H2,1-2H3
InChIKeyWDJTXQNUTUKGPT-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine

1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine (PubChem CID 115958090) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
PubChem CID115958090
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-11-5-3-6-13(9-12(2)20)17(11)21-10-14-7-4-8-15(18)16(14)19/h3-8,12H,9-10,20H2,1-2H3
InChIKeyWDJTXQNUTUKGPT-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
CID 112615436
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine (CID 115958090) is 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCc1cccc(F)c1F.
What is the InChIKey of 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The InChIKey is WDJTXQNUTUKGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-5-3-6-13(9-12(2)20)17(11)21-10-14-7-4-8-15(18)16(14)19/h3-8,12H,9-10,20H2,1-2H3.
What are the key properties of 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 115958090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).