4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol

C13H20FNO — CID 112680356

IUPAC4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol
SMILESCCC(CN)C(O)(CC)c1ccccc1F
InChIInChI=1S/C13H20FNO/c1-3-10(9-15)13(16,4-2)11-7-5-6-8-12(11)14/h5-8,10,16H,3-4,9,15H2,1-2H3
InChIKeyZZZJTGQFFYCONW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.41
Rot. Bonds5

About 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol

4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol (PubChem CID 112680356) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol
PubChem CID112680356
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol
SMILESCCC(CN)C(O)(CC)c1ccccc1F
InChIInChI=1S/C13H20FNO/c1-3-10(9-15)13(16,4-2)11-7-5-6-8-12(11)14/h5-8,10,16H,3-4,9,15H2,1-2H3
InChIKeyZZZJTGQFFYCONW-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 201827
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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol?
The IUPAC name of 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol (CID 112680356) is 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol is CCC(CN)C(O)(CC)c1ccccc1F.
What is the InChIKey of 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol?
The InChIKey is ZZZJTGQFFYCONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-10(9-15)13(16,4-2)11-7-5-6-8-12(11)14/h5-8,10,16H,3-4,9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol?
4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol has a molecular weight of 225.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol is sourced from PubChem (CID 112680356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).