2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol

C13H18FNO — CID 123696022

IUPAC2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol
SMILESC/C(=N\C(CO)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H18FNO/c1-9(2)10(3)15-13(8-16)11-4-6-12(14)7-5-11/h4-7,9,13,16H,8H2,1-3H3/b15-10+
InChIKeyUNOMBOZZLWKNLJ-XNTDXEJSSA-N
MW223.29 g/mol
LogP2.98
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol

2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol (PubChem CID 123696022) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol
PubChem CID123696022
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol
SMILESC/C(=N\C(CO)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H18FNO/c1-9(2)10(3)15-13(8-16)11-4-6-12(14)7-5-11/h4-7,9,13,16H,8H2,1-3H3/b15-10+
InChIKeyUNOMBOZZLWKNLJ-XNTDXEJSSA-N
XLogP2.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-2-(4-fluorophenyl)ethanol
CID 14853201
beta-Amino-2,4-difluoro-benzeneethanol
CID 14853269
2-Amino-2-(3-fluorophenyl)ethan-1-ol hydrochloride
CID 54593657
(S)-2-Amino-2-(4-fluorophenyl)ethanol hydrochloride
CID 67033232
(S)-2-Amino-2-(2-fluorophenyl)ethanol hydrochloride
CID 67033930
1-Amino-1-(2-fluorophenyl)propan-2-ol
CID 76224820
(R)-2-Amino-2-(2-fluorophenyl)ethanol hydrochloride
CID 122173420
(S)-2-Amino-2-(4-fluorophenyl)ethanol
CID 51669578
2-Amino-2-(3-fluorophenyl)ethanol
CID 45090613
2-Amino-2-(2,6-difluorophenyl)ethanol
CID 54593627
(2R)-2-amino-2-(4-fluorophenyl)ethan-1-ol hydrochloride
CID 73554117
(2R)-2-amino-2-(3-fluorophenyl)ethan-1-ol hydrochloride
CID 122129672

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol (CID 123696022) is 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol is C/C(=N\C(CO)c1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol?
The InChIKey is UNOMBOZZLWKNLJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)10(3)15-13(8-16)11-4-6-12(14)7-5-11/h4-7,9,13,16H,8H2,1-3H3/b15-10+.
What are the key properties of 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol?
2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol is sourced from PubChem (CID 123696022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).