(2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol

C11H16FNO — CID 148801328

IUPAC(2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol
SMILESCN(Cc1ccccc1)C[C@H](F)CO
InChIInChI=1S/C11H16FNO/c1-13(8-11(12)9-14)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3/t11-/m0/s1
InChIKeyOOBTWAPPJXJUEA-NSHDSACASA-N
MW197.25 g/mol
LogP1.45
Rot. Bonds5

About (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol

(2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol (PubChem CID 148801328) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol
PubChem CID148801328
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol
SMILESCN(Cc1ccccc1)C[C@H](F)CO
InChIInChI=1S/C11H16FNO/c1-13(8-11(12)9-14)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3/t11-/m0/s1
InChIKeyOOBTWAPPJXJUEA-NSHDSACASA-N
XLogP1.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol?
The IUPAC name of (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol (CID 148801328) is (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol.
What is the SMILES notation for (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol?
The canonical SMILES for (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol is CN(Cc1ccccc1)C[C@H](F)CO.
What is the InChIKey of (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol?
The InChIKey is OOBTWAPPJXJUEA-NSHDSACASA-N. The full InChI is InChI=1S/C11H16FNO/c1-13(8-11(12)9-14)7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol?
(2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[benzyl(methyl)amino]-2-fluoropropan-1-ol is sourced from PubChem (CID 148801328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).