(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol

C11H15F2NO — CID 96500088

IUPAC(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol
SMILESC[C@H](O)CCNCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-8(15)5-6-14-7-9-10(12)3-2-4-11(9)13/h2-4,8,14-15H,5-7H2,1H3/t8-/m0/s1
InChIKeyJHASUROHZORHBA-QMMMGPOBSA-N
MW215.24 g/mol
LogP1.83
Rot. Bonds5

About (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol

(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol (PubChem CID 96500088) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol
PubChem CID96500088
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol
SMILESC[C@H](O)CCNCc1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-8(15)5-6-14-7-9-10(12)3-2-4-11(9)13/h2-4,8,14-15H,5-7H2,1H3/t8-/m0/s1
InChIKeyJHASUROHZORHBA-QMMMGPOBSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol 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

(2S)-4-[(2,6-dimethylphenyl)methylamino]butan-2-ol
CID 97358416
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104
4-[(3-bromo-2,6-difluorophenyl)methylamino]butan-2-ol
CID 106263499
4-fluoro-3-[(3-hydroxybutylamino)methyl]-1-benzothiophene-2-carboxylic acid
CID 103254178
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
3-chloro-2-[[[(3R)-3-hydroxybutyl]amino]methyl]phenol
CID 96958757
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
3-chloro-N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-1-amine
CID 106242412
3-[(2,6-difluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684717
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol?
The IUPAC name of (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol (CID 96500088) is (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol.
What is the SMILES notation for (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol?
The canonical SMILES for (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol is C[C@H](O)CCNCc1c(F)cccc1F.
What is the InChIKey of (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol?
The InChIKey is JHASUROHZORHBA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(15)5-6-14-7-9-10(12)3-2-4-11(9)13/h2-4,8,14-15H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol?
(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol has a molecular weight of 215.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol is sourced from PubChem (CID 96500088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).