4-[4-(methylamino)phenyl]but-3-en-1-ol

C11H15NO — CID 170476280

IUPAC4-[4-(methylamino)phenyl]but-3-en-1-ol
SMILESCNc1ccc(C=CCCO)cc1
InChIInChI=1S/C11H15NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h2,4-8,12-13H,3,9H2,1H3
InChIKeyMBCJOEFDKZDGMX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.12
Rot. Bonds4

About 4-[4-(methylamino)phenyl]but-3-en-1-ol

4-[4-(methylamino)phenyl]but-3-en-1-ol (PubChem CID 170476280) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[4-(methylamino)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[4-(methylamino)phenyl]but-3-en-1-ol
PubChem CID170476280
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[4-(methylamino)phenyl]but-3-en-1-ol
SMILESCNc1ccc(C=CCCO)cc1
InChIInChI=1S/C11H15NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h2,4-8,12-13H,3,9H2,1H3
InChIKeyMBCJOEFDKZDGMX-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)phenyl]but-3-en-1-ol?
The IUPAC name of 4-[4-(methylamino)phenyl]but-3-en-1-ol (CID 170476280) is 4-[4-(methylamino)phenyl]but-3-en-1-ol.
What is the SMILES notation for 4-[4-(methylamino)phenyl]but-3-en-1-ol?
The canonical SMILES for 4-[4-(methylamino)phenyl]but-3-en-1-ol is CNc1ccc(C=CCCO)cc1.
What is the InChIKey of 4-[4-(methylamino)phenyl]but-3-en-1-ol?
The InChIKey is MBCJOEFDKZDGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-11-7-5-10(6-8-11)4-2-3-9-13/h2,4-8,12-13H,3,9H2,1H3.
What are the key properties of 4-[4-(methylamino)phenyl]but-3-en-1-ol?
4-[4-(methylamino)phenyl]but-3-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)phenyl]but-3-en-1-ol is sourced from PubChem (CID 170476280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).