4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol

C14H22FNO — CID 82977766

IUPAC4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol
SMILESCCCC(C)N(C)C(C)c1cc(F)ccc1O
InChIInChI=1S/C14H22FNO/c1-5-6-10(2)16(4)11(3)13-9-12(15)7-8-14(13)17/h7-11,17H,5-6H2,1-4H3
InChIKeyVPUWXOMRMKPKIP-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.71
Rot. Bonds5

About 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol

4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol (PubChem CID 82977766) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol
PubChem CID82977766
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol
SMILESCCCC(C)N(C)C(C)c1cc(F)ccc1O
InChIInChI=1S/C14H22FNO/c1-5-6-10(2)16(4)11(3)13-9-12(15)7-8-14(13)17/h7-11,17H,5-6H2,1-4H3
InChIKeyVPUWXOMRMKPKIP-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[butan-2-yl(methyl)amino]ethyl]-5-fluorophenol
CID 82977411
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
CID 82986196
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475
4-fluoro-2-(1-hydroxypropyl)phenol
CID 82268240
2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
CID 171198955
4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982074
1-(2-bromo-4-fluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 114059954
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol (CID 82977766) is 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol is CCCC(C)N(C)C(C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol?
The InChIKey is VPUWXOMRMKPKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-6-10(2)16(4)11(3)13-9-12(15)7-8-14(13)17/h7-11,17H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol?
4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol has a molecular weight of 239.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 82977766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).