2-(benzylamino)butan-1-ol

C11H17NO — CID 562761

IUPAC2-(benzylamino)butan-1-ol
SMILESCCC(CO)NCc1ccccc1
InChIInChI=1S/C11H17NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
InChIKeyPGFBTQBTIYCCFJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.55
Rot. Bonds5

About 2-(benzylamino)butan-1-ol

2-(benzylamino)butan-1-ol (PubChem CID 562761) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(benzylamino)butan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)butan-1-ol
PubChem CID562761
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(benzylamino)butan-1-ol
SMILESCCC(CO)NCc1ccccc1
InChIInChI=1S/C11H17NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
InChIKeyPGFBTQBTIYCCFJ-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)butan-1-ol?
The IUPAC name of 2-(benzylamino)butan-1-ol (CID 562761) is 2-(benzylamino)butan-1-ol.
What is the SMILES notation for 2-(benzylamino)butan-1-ol?
The canonical SMILES for 2-(benzylamino)butan-1-ol is CCC(CO)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)butan-1-ol?
The InChIKey is PGFBTQBTIYCCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3.
What are the key properties of 2-(benzylamino)butan-1-ol?
2-(benzylamino)butan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)butan-1-ol is sourced from PubChem (CID 562761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).