3-(benzylamino)butan-1-ol

C11H17NO — CID 10464904

IUPAC3-(benzylamino)butan-1-ol
SMILESCC(CCO)NCc1ccccc1
InChIInChI=1S/C11H17NO/c1-10(7-8-13)12-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyDYGQWKBWKAFSBR-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.55
Rot. Bonds5

About 3-(benzylamino)butan-1-ol

3-(benzylamino)butan-1-ol (PubChem CID 10464904) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(benzylamino)butan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)butan-1-ol
PubChem CID10464904
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(benzylamino)butan-1-ol
SMILESCC(CCO)NCc1ccccc1
InChIInChI=1S/C11H17NO/c1-10(7-8-13)12-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyDYGQWKBWKAFSBR-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 3-(benzylamino)butan-1-ol?
The IUPAC name of 3-(benzylamino)butan-1-ol (CID 10464904) is 3-(benzylamino)butan-1-ol.
What is the SMILES notation for 3-(benzylamino)butan-1-ol?
The canonical SMILES for 3-(benzylamino)butan-1-ol is CC(CCO)NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)butan-1-ol?
The InChIKey is DYGQWKBWKAFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10(7-8-13)12-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3.
What are the key properties of 3-(benzylamino)butan-1-ol?
3-(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 3-(benzylamino)butan-1-ol is sourced from PubChem (CID 10464904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).