4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol

C11H15F2NO — CID 117306626

IUPAC4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
SMILESCc1cc(CCCN)cc(C(F)F)c1O
InChIInChI=1S/C11H15F2NO/c1-7-5-8(3-2-4-14)6-9(10(7)15)11(12)13/h5-6,11,15H,2-4,14H2,1H3
InChIKeyHDKLJRDBCLHCSC-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.53
Rot. Bonds4

About 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol

4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol (PubChem CID 117306626) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
PubChem CID117306626
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
SMILESCc1cc(CCCN)cc(C(F)F)c1O
InChIInChI=1S/C11H15F2NO/c1-7-5-8(3-2-4-14)6-9(10(7)15)11(12)13/h5-6,11,15H,2-4,14H2,1H3
InChIKeyHDKLJRDBCLHCSC-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
2-(difluoromethyl)-6-methylbenzene-1,4-diol
CID 84654821
4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
CID 84669987
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
4-(3-aminopropyl)-3-fluoro-6-methylbenzene-1,2-diol
CID 117288575
2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
CID 84774420
3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine
CID 117291420
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
2,6-dimethyl-4-pentylphenol
CID 22625507
4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol
CID 67061686
2-(2-amino-1-hydroxyethyl)-4-ethyl-6-methylphenol
CID 83879423

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol?
The IUPAC name of 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol (CID 117306626) is 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol.
What is the SMILES notation for 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol?
The canonical SMILES for 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol is Cc1cc(CCCN)cc(C(F)F)c1O.
What is the InChIKey of 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol?
The InChIKey is HDKLJRDBCLHCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7-5-8(3-2-4-14)6-9(10(7)15)11(12)13/h5-6,11,15H,2-4,14H2,1H3.
What are the key properties of 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol?
4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol has a molecular weight of 215.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol is sourced from PubChem (CID 117306626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).