5-[(4-fluorophenyl)methylamino]pentan-2-ol

C12H18FNO — CID 107267828

IUPAC5-[(4-fluorophenyl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-10(15)3-2-8-14-9-11-4-6-12(13)7-5-11/h4-7,10,14-15H,2-3,8-9H2,1H3
InChIKeyUMODCUSPCPSRDW-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.08
Rot. Bonds6

About 5-[(4-fluorophenyl)methylamino]pentan-2-ol

5-[(4-fluorophenyl)methylamino]pentan-2-ol (PubChem CID 107267828) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]pentan-2-ol
PubChem CID107267828
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name5-[(4-fluorophenyl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-10(15)3-2-8-14-9-11-4-6-12(13)7-5-11/h4-7,10,14-15H,2-3,8-9H2,1H3
InChIKeyUMODCUSPCPSRDW-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-hydroxypentylamino)methyl]phenyl]acetic acid
CID 114148480
1-[2-[(4-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294524
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720014
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid
CID 11673206
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide
CID 107299863
3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
CID 109021206

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]pentan-2-ol (CID 107267828) is 5-[(4-fluorophenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]pentan-2-ol is CC(O)CCCNCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]pentan-2-ol?
The InChIKey is UMODCUSPCPSRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(15)3-2-8-14-9-11-4-6-12(13)7-5-11/h4-7,10,14-15H,2-3,8-9H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methylamino]pentan-2-ol?
5-[(4-fluorophenyl)methylamino]pentan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 107267828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).