5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol

C15H24FNO — CID 83931688

IUPAC5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
SMILESCCC(N)C(O)CC(C)c1cc(C)c(C)cc1F
InChIInChI=1S/C15H24FNO/c1-5-14(17)15(18)8-11(4)12-6-9(2)10(3)7-13(12)16/h6-7,11,14-15,18H,5,8,17H2,1-4H3
InChIKeyUQZYXESPHBKPGB-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.03
Rot. Bonds5

About 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol

5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol (PubChem CID 83931688) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol.

Molecular Properties

Compound Name5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
PubChem CID83931688
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
SMILESCCC(N)C(O)CC(C)c1cc(C)c(C)cc1F
InChIInChI=1S/C15H24FNO/c1-5-14(17)15(18)8-11(4)12-6-9(2)10(3)7-13(12)16/h6-7,11,14-15,18H,5,8,17H2,1-4H3
InChIKeyUQZYXESPHBKPGB-UHFFFAOYSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol
CID 83922921
5-amino-2-(4,5-diethoxy-2-fluorophenyl)octan-4-ol
CID 83923165
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
2-amino-5-(2-chloro-4,5-dimethylphenyl)hexan-3-ol
CID 83931550
6-(2-bromo-4,5-dimethylphenyl)heptane-3,4-diol
CID 83921965
5-amino-2-(3-tert-butyl-4-methylphenyl)heptan-4-ol
CID 83939260
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
CID 83922311
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol?
The IUPAC name of 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol (CID 83931688) is 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol.
What is the SMILES notation for 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol?
The canonical SMILES for 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol is CCC(N)C(O)CC(C)c1cc(C)c(C)cc1F.
What is the InChIKey of 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol?
The InChIKey is UQZYXESPHBKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-14(17)15(18)8-11(4)12-6-9(2)10(3)7-13(12)16/h6-7,11,14-15,18H,5,8,17H2,1-4H3.
What are the key properties of 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol?
5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol has a molecular weight of 253.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol is sourced from PubChem (CID 83931688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).