(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol

C11H15ClFNO — CID 918787

IUPAC(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-8(7-15)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14-15H,2,6-7H2,1H3/t8-/m0/s1
InChIKeyDUAXRDVUQGOPLR-QMMMGPOBSA-N
MW231.70 g/mol
LogP2.34
Rot. Bonds5

About (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol

(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol (PubChem CID 918787) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol
PubChem CID918787
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-8(7-15)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14-15H,2,6-7H2,1H3/t8-/m0/s1
InChIKeyDUAXRDVUQGOPLR-QMMMGPOBSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol (CID 918787) is (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is DUAXRDVUQGOPLR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-8(7-15)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14-15H,2,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol?
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol has a molecular weight of 231.70 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloro-6-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 918787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).