1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol

C12H17NO — CID 132942621

IUPAC1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol
SMILESCC(C)=NCc1ccc(C(C)O)cc1
InChIInChI=1S/C12H17NO/c1-9(2)13-8-11-4-6-12(7-5-11)10(3)14/h4-7,10,14H,8H2,1-3H3
InChIKeyJRTIZUHYOXDWSK-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.72
Rot. Bonds3

About 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol

1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol (PubChem CID 132942621) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol
PubChem CID132942621
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol
SMILESCC(C)=NCc1ccc(C(C)O)cc1
InChIInChI=1S/C12H17NO/c1-9(2)13-8-11-4-6-12(7-5-11)10(3)14/h4-7,10,14H,8H2,1-3H3
InChIKeyJRTIZUHYOXDWSK-UHFFFAOYSA-N
XLogP2.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol?
The IUPAC name of 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol (CID 132942621) is 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol is CC(C)=NCc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol?
The InChIKey is JRTIZUHYOXDWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)13-8-11-4-6-12(7-5-11)10(3)14/h4-7,10,14H,8H2,1-3H3.
What are the key properties of 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol?
1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol has a molecular weight of 191.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(propan-2-ylideneamino)methyl]phenyl]ethanol is sourced from PubChem (CID 132942621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).