4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol

C14H22FNO — CID 115217984

IUPAC4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol
SMILESCC(C)(CNCCCCO)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-14(2,11-16-8-3-4-9-17)12-6-5-7-13(15)10-12/h5-7,10,16-17H,3-4,8-9,11H2,1-2H3
InChIKeyXIEQJQNHGMWFQX-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.47
Rot. Bonds7

About 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol

4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol (PubChem CID 115217984) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol
PubChem CID115217984
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol
SMILESCC(C)(CNCCCCO)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-14(2,11-16-8-3-4-9-17)12-6-5-7-13(15)10-12/h5-7,10,16-17H,3-4,8-9,11H2,1-2H3
InChIKeyXIEQJQNHGMWFQX-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.47
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-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol
CID 115252294
3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol
CID 115217334
3-[[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115217257
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
3-[[2-(3-fluorophenyl)-2-methylpropyl]amino]-2-(methylamino)propanoic acid
CID 115256325
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol?
The IUPAC name of 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol (CID 115217984) is 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol?
The canonical SMILES for 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol is CC(C)(CNCCCCO)c1cccc(F)c1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol?
The InChIKey is XIEQJQNHGMWFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,11-16-8-3-4-9-17)12-6-5-7-13(15)10-12/h5-7,10,16-17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol?
4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol is sourced from PubChem (CID 115217984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).