(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine

C11H15F2NO — CID 171215725

IUPAC(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
SMILESCCC[C@@H](N)c1c(F)ccc(OC)c1F
InChIInChI=1S/C11H15F2NO/c1-3-4-8(14)10-7(12)5-6-9(15-2)11(10)13/h5-6,8H,3-4,14H2,1-2H3/t8-/m1/s1
InChIKeyKTLVQLRRKIKOCK-MRVPVSSYSA-N
MW215.24 g/mol
LogP2.77
Rot. Bonds4

About (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine

(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine (PubChem CID 171215725) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
PubChem CID171215725
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
SMILESCCC[C@@H](N)c1c(F)ccc(OC)c1F
InChIInChI=1S/C11H15F2NO/c1-3-4-8(14)10-7(12)5-6-9(15-2)11(10)13/h5-6,8H,3-4,14H2,1-2H3/t8-/m1/s1
InChIKeyKTLVQLRRKIKOCK-MRVPVSSYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-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

(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
CID 171215718
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171235352
(1R)-1-(2,6-difluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171215754
ethyl (3S)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoate
CID 171235397
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
(1S)-2-cyclopropyl-1-(2,6-difluoro-3-methoxyphenyl)ethanamine;hydrochloride
CID 171235369
(3R)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 124514694
(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
CID 130625977
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
CID 86262880

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine?
The IUPAC name of (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine (CID 171215725) is (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine.
What is the SMILES notation for (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine?
The canonical SMILES for (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine is CCC[C@@H](N)c1c(F)ccc(OC)c1F.
What is the InChIKey of (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine?
The InChIKey is KTLVQLRRKIKOCK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-4-8(14)10-7(12)5-6-9(15-2)11(10)13/h5-6,8H,3-4,14H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine?
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 171215725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).