(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol

C11H15F2NO — CID 93043909

IUPAC(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cccc(F)c1F
InChIInChI=1S/C11H15F2NO/c1-2-9(7-15)14-6-8-4-3-5-10(12)11(8)13/h3-5,9,14-15H,2,6-7H2,1H3/t9-/m1/s1
InChIKeyLPFPNQXYHIZGDC-SECBINFHSA-N
MW215.24 g/mol
LogP1.83
Rot. Bonds5

About (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol

(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol (PubChem CID 93043909) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
PubChem CID93043909
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cccc(F)c1F
InChIInChI=1S/C11H15F2NO/c1-2-9(7-15)14-6-8-4-3-5-10(12)11(8)13/h3-5,9,14-15H,2,6-7H2,1H3/t9-/m1/s1
InChIKeyLPFPNQXYHIZGDC-SECBINFHSA-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

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Related Compounds

(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727318
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
2-[4-[(2,3-difluorophenyl)methylamino]phenyl]-N-(1-hydroxybutan-2-yl)acetamide
CID 111778068
(2S)-2-[(4-bromo-2-fluorophenyl)methylamino]butan-1-ol
CID 51863621
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol (CID 93043909) is (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cccc(F)c1F.
What is the InChIKey of (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol?
The InChIKey is LPFPNQXYHIZGDC-SECBINFHSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-9(7-15)14-6-8-4-3-5-10(12)11(8)13/h3-5,9,14-15H,2,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol?
(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-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 (2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 93043909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).