3-amino-1-(4-fluorophenyl)butan-1-ol

C10H14FNO — CID 71756333

IUPAC3-amino-1-(4-fluorophenyl)butan-1-ol
SMILESCC(N)CC(O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,7,10,13H,6,12H2,1H3
InChIKeyUIXSIOQBLTVBSC-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.60
Rot. Bonds3

About 3-amino-1-(4-fluorophenyl)butan-1-ol

3-amino-1-(4-fluorophenyl)butan-1-ol (PubChem CID 71756333) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-amino-1-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-fluorophenyl)butan-1-ol
PubChem CID71756333
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-amino-1-(4-fluorophenyl)butan-1-ol
SMILESCC(N)CC(O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,7,10,13H,6,12H2,1H3
InChIKeyUIXSIOQBLTVBSC-UHFFFAOYSA-N
XLogP1.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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DL-Ephedrine hydrochloride
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(-)-Pseudoephedrine
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(-)-Norpseudoephedrine
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 3-amino-1-(4-fluorophenyl)butan-1-ol (CID 71756333) is 3-amino-1-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 3-amino-1-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 3-amino-1-(4-fluorophenyl)butan-1-ol is CC(N)CC(O)c1ccc(F)cc1.
What is the InChIKey of 3-amino-1-(4-fluorophenyl)butan-1-ol?
The InChIKey is UIXSIOQBLTVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,7,10,13H,6,12H2,1H3.
What are the key properties of 3-amino-1-(4-fluorophenyl)butan-1-ol?
3-amino-1-(4-fluorophenyl)butan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 71756333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).