[2-(4-fluorophenyl)ethylamino]methanol

C9H12FNO — CID 69360802

IUPAC[2-(4-fluorophenyl)ethylamino]methanol
SMILESOCNCCc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4,11-12H,5-7H2
InChIKeyKNQYLMBCLKVQCF-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.91
Rot. Bonds4

About [2-(4-fluorophenyl)ethylamino]methanol

[2-(4-fluorophenyl)ethylamino]methanol (PubChem CID 69360802) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is [2-(4-fluorophenyl)ethylamino]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)ethylamino]methanol
PubChem CID69360802
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name[2-(4-fluorophenyl)ethylamino]methanol
SMILESOCNCCc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4,11-12H,5-7H2
InChIKeyKNQYLMBCLKVQCF-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
CID 108992943
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
3-[2-(4-fluorophenyl)ethylamino]-2-methylpropanoic acid
CID 43538395

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)ethylamino]methanol?
The IUPAC name of [2-(4-fluorophenyl)ethylamino]methanol (CID 69360802) is [2-(4-fluorophenyl)ethylamino]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)ethylamino]methanol?
The canonical SMILES for [2-(4-fluorophenyl)ethylamino]methanol is OCNCCc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)ethylamino]methanol?
The InChIKey is KNQYLMBCLKVQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4,11-12H,5-7H2.
What are the key properties of [2-(4-fluorophenyl)ethylamino]methanol?
[2-(4-fluorophenyl)ethylamino]methanol has a molecular weight of 169.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)ethylamino]methanol is sourced from PubChem (CID 69360802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).