5-(2-aminopropyl)-2-fluoro-3-methylphenol

C10H14FNO — CID 117279526

IUPAC5-(2-aminopropyl)-2-fluoro-3-methylphenol
SMILESCc1cc(CC(C)N)cc(O)c1F
InChIInChI=1S/C10H14FNO/c1-6-3-8(4-7(2)12)5-9(13)10(6)11/h3,5,7,13H,4,12H2,1-2H3
InChIKeyDOEWDFKTZAPRHE-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.73
Rot. Bonds2

About 5-(2-aminopropyl)-2-fluoro-3-methylphenol

5-(2-aminopropyl)-2-fluoro-3-methylphenol (PubChem CID 117279526) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-(2-aminopropyl)-2-fluoro-3-methylphenol.

Molecular Properties

Compound Name5-(2-aminopropyl)-2-fluoro-3-methylphenol
PubChem CID117279526
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name5-(2-aminopropyl)-2-fluoro-3-methylphenol
SMILESCc1cc(CC(C)N)cc(O)c1F
InChIInChI=1S/C10H14FNO/c1-6-3-8(4-7(2)12)5-9(13)10(6)11/h3,5,7,13H,4,12H2,1-2H3
InChIKeyDOEWDFKTZAPRHE-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
5-ethyl-2-fluoro-3-methylphenol
CID 89028057
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
CID 117288723
4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
CID 117356903
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 54930474
3-(3-bromo-4-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 84714116

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-2-fluoro-3-methylphenol?
The IUPAC name of 5-(2-aminopropyl)-2-fluoro-3-methylphenol (CID 117279526) is 5-(2-aminopropyl)-2-fluoro-3-methylphenol.
What is the SMILES notation for 5-(2-aminopropyl)-2-fluoro-3-methylphenol?
The canonical SMILES for 5-(2-aminopropyl)-2-fluoro-3-methylphenol is Cc1cc(CC(C)N)cc(O)c1F.
What is the InChIKey of 5-(2-aminopropyl)-2-fluoro-3-methylphenol?
The InChIKey is DOEWDFKTZAPRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-3-8(4-7(2)12)5-9(13)10(6)11/h3,5,7,13H,4,12H2,1-2H3.
What are the key properties of 5-(2-aminopropyl)-2-fluoro-3-methylphenol?
5-(2-aminopropyl)-2-fluoro-3-methylphenol has a molecular weight of 183.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-2-fluoro-3-methylphenol is sourced from PubChem (CID 117279526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).