3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol

C14H22FNO2 — CID 114358290

IUPAC3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)OCc1ccccc1F
InChIInChI=1S/C14H22FNO2/c1-14(2,3)13(16)12(8-17)18-9-10-6-4-5-7-11(10)15/h4-7,12-13,17H,8-9,16H2,1-3H3
InChIKeyYXJBXUUXDLPOFM-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol

3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol (PubChem CID 114358290) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol
PubChem CID114358290
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)OCc1ccccc1F
InChIInChI=1S/C14H22FNO2/c1-14(2,3)13(16)12(8-17)18-9-10-6-4-5-7-11(10)15/h4-7,12-13,17H,8-9,16H2,1-3H3
InChIKeyYXJBXUUXDLPOFM-UHFFFAOYSA-N
XLogP2.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol (CID 114358290) is 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol is CC(C)(C)C(N)C(CO)OCc1ccccc1F.
What is the InChIKey of 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol?
The InChIKey is YXJBXUUXDLPOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-14(2,3)13(16)12(8-17)18-9-10-6-4-5-7-11(10)15/h4-7,12-13,17H,8-9,16H2,1-3H3.
What are the key properties of 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol?
3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-fluorophenyl)methoxy]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114358290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).