(2S)-2-(benzylamino)-3-methylbutan-1-ol

C12H19NO — CID 10176504

IUPAC(2S)-2-(benzylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)12(9-14)13-8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyHQUYDMGPGDLNJM-GFCCVEGCSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds5

About (2S)-2-(benzylamino)-3-methylbutan-1-ol

(2S)-2-(benzylamino)-3-methylbutan-1-ol (PubChem CID 10176504) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-3-methylbutan-1-ol
PubChem CID10176504
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-2-(benzylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)12(9-14)13-8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyHQUYDMGPGDLNJM-GFCCVEGCSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(benzylamino)-3-methylbutan-1-ol (CID 10176504) is (2S)-2-(benzylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(benzylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(benzylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCc1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-3-methylbutan-1-ol?
The InChIKey is HQUYDMGPGDLNJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)12(9-14)13-8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2S)-2-(benzylamino)-3-methylbutan-1-ol?
(2S)-2-(benzylamino)-3-methylbutan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 10176504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).