(2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol

C11H16FNO — CID 961334

IUPAC(2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m0/s1
InChIKeyCSFUDWGDTZOTJO-NSHDSACASA-N
MW197.25 g/mol
LogP1.69
Rot. Bonds5

About (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol

(2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol (PubChem CID 961334) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol
PubChem CID961334
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m0/s1
InChIKeyCSFUDWGDTZOTJO-NSHDSACASA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol (CID 961334) is (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is CSFUDWGDTZOTJO-NSHDSACASA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol?
(2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 961334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).