1-(3,5-difluorophenyl)-4-methoxybutan-2-amine

C11H15F2NO — CID 115601754

IUPAC1-(3,5-difluorophenyl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-15-3-2-11(14)6-8-4-9(12)7-10(13)5-8/h4-5,7,11H,2-3,6,14H2,1H3
InChIKeyDRUVQQVUDLRNKK-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.87
Rot. Bonds5

About 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine

1-(3,5-difluorophenyl)-4-methoxybutan-2-amine (PubChem CID 115601754) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-4-methoxybutan-2-amine
PubChem CID115601754
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(3,5-difluorophenyl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-15-3-2-11(14)6-8-4-9(12)7-10(13)5-8/h4-5,7,11H,2-3,6,14H2,1H3
InChIKeyDRUVQQVUDLRNKK-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-4-phenoxybutan-2-amine
CID 115601755
(2S)-4-chloro-1-(3,5-difluorophenyl)butan-2-amine
CID 89258105
1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
[1-(3,5-difluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105206742
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62478079
1-(3-fluoro-5-nitrophenyl)pentan-2-amine
CID 112649483
4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine (CID 115601754) is 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine is COCCC(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine?
The InChIKey is DRUVQQVUDLRNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-3-2-11(14)6-8-4-9(12)7-10(13)5-8/h4-5,7,11H,2-3,6,14H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine?
1-(3,5-difluorophenyl)-4-methoxybutan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 115601754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).