4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol

C10H13F2NO — CID 84669987

IUPAC4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
SMILESCc1cc(C(C)N)cc(C(F)F)c1O
InChIInChI=1S/C10H13F2NO/c1-5-3-7(6(2)13)4-8(9(5)14)10(11)12/h3-4,6,10,14H,13H2,1-2H3
InChIKeyOGAJSMIZXLTWPU-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.66
Rot. Bonds2

About 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol

4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol (PubChem CID 84669987) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
PubChem CID84669987
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
SMILESCc1cc(C(C)N)cc(C(F)F)c1O
InChIInChI=1S/C10H13F2NO/c1-5-3-7(6(2)13)4-8(9(5)14)10(11)12/h3-4,6,10,14H,13H2,1-2H3
InChIKeyOGAJSMIZXLTWPU-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-6-methylbenzene-1,4-diol
CID 84654821
4-(1-aminoethyl)-2-chloro-6-methylphenol
CID 84660355
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
CID 117306626
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
CID 117391230
5-(1-aminoethyl)benzene-1,2,3-triol
CID 55295720
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150
2-[(1R)-1-aminoethyl]-4-bromo-6-methylphenol
CID 130722387
2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117359962
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol?
The IUPAC name of 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol (CID 84669987) is 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol.
What is the SMILES notation for 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol?
The canonical SMILES for 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol is Cc1cc(C(C)N)cc(C(F)F)c1O.
What is the InChIKey of 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol?
The InChIKey is OGAJSMIZXLTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-5-3-7(6(2)13)4-8(9(5)14)10(11)12/h3-4,6,10,14H,13H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol?
4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol has a molecular weight of 201.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol is sourced from PubChem (CID 84669987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).