(2R)-1-(N,2,3-trimethylanilino)butan-2-ol

C13H21NO — CID 111487530

IUPAC(2R)-1-(N,2,3-trimethylanilino)butan-2-ol
SMILESCC[C@@H](O)CN(C)c1cccc(C)c1C
InChIInChI=1S/C13H21NO/c1-5-12(15)9-14(4)13-8-6-7-10(2)11(13)3/h6-8,12,15H,5,9H2,1-4H3/t12-/m1/s1
InChIKeyKYEFERZTECNQKK-GFCCVEGCSA-N
MW207.32 g/mol
LogP2.51
Rot. Bonds4

About (2R)-1-(N,2,3-trimethylanilino)butan-2-ol

(2R)-1-(N,2,3-trimethylanilino)butan-2-ol (PubChem CID 111487530) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-1-(N,2,3-trimethylanilino)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(N,2,3-trimethylanilino)butan-2-ol
PubChem CID111487530
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-1-(N,2,3-trimethylanilino)butan-2-ol
SMILESCC[C@@H](O)CN(C)c1cccc(C)c1C
InChIInChI=1S/C13H21NO/c1-5-12(15)9-14(4)13-8-6-7-10(2)11(13)3/h6-8,12,15H,5,9H2,1-4H3/t12-/m1/s1
InChIKeyKYEFERZTECNQKK-GFCCVEGCSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(N,2,3-trimethylanilino)butan-2-ol?
The IUPAC name of (2R)-1-(N,2,3-trimethylanilino)butan-2-ol (CID 111487530) is (2R)-1-(N,2,3-trimethylanilino)butan-2-ol.
What is the SMILES notation for (2R)-1-(N,2,3-trimethylanilino)butan-2-ol?
The canonical SMILES for (2R)-1-(N,2,3-trimethylanilino)butan-2-ol is CC[C@@H](O)CN(C)c1cccc(C)c1C.
What is the InChIKey of (2R)-1-(N,2,3-trimethylanilino)butan-2-ol?
The InChIKey is KYEFERZTECNQKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-12(15)9-14(4)13-8-6-7-10(2)11(13)3/h6-8,12,15H,5,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-(N,2,3-trimethylanilino)butan-2-ol?
(2R)-1-(N,2,3-trimethylanilino)butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(N,2,3-trimethylanilino)butan-2-ol is sourced from PubChem (CID 111487530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).