(2R,4S)-4-anilinopentan-2-ol

C11H17NO — CID 11805330

IUPAC(2R,4S)-4-anilinopentan-2-ol
SMILESC[C@@H](O)C[C@H](C)Nc1ccccc1
InChIInChI=1S/C11H17NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3/t9-,10+/m0/s1
InChIKeyODHBBSIKJAONSY-VHSXEESVSA-N
MW179.26 g/mol
LogP2.26
Rot. Bonds4

About (2R,4S)-4-anilinopentan-2-ol

(2R,4S)-4-anilinopentan-2-ol (PubChem CID 11805330) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2R,4S)-4-anilinopentan-2-ol.

Molecular Properties

Compound Name(2R,4S)-4-anilinopentan-2-ol
PubChem CID11805330
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2R,4S)-4-anilinopentan-2-ol
SMILESC[C@@H](O)C[C@H](C)Nc1ccccc1
InChIInChI=1S/C11H17NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3/t9-,10+/m0/s1
InChIKeyODHBBSIKJAONSY-VHSXEESVSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-anilinopentan-2-ol?
The IUPAC name of (2R,4S)-4-anilinopentan-2-ol (CID 11805330) is (2R,4S)-4-anilinopentan-2-ol.
What is the SMILES notation for (2R,4S)-4-anilinopentan-2-ol?
The canonical SMILES for (2R,4S)-4-anilinopentan-2-ol is C[C@@H](O)C[C@H](C)Nc1ccccc1.
What is the InChIKey of (2R,4S)-4-anilinopentan-2-ol?
The InChIKey is ODHBBSIKJAONSY-VHSXEESVSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-4-anilinopentan-2-ol?
(2R,4S)-4-anilinopentan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-anilinopentan-2-ol is sourced from PubChem (CID 11805330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).