2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol

C10H14FNO — CID 84659168

IUPAC2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
SMILESCC(CN)c1cc(CF)ccc1O
InChIInChI=1S/C10H14FNO/c1-7(6-12)9-4-8(5-11)2-3-10(9)13/h2-4,7,13H,5-6,12H2,1H3
InChIKeyPMMQPNLKNYELMZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.92
Rot. Bonds3

About 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol

2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol (PubChem CID 84659168) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
PubChem CID84659168
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
SMILESCC(CN)c1cc(CF)ccc1O
InChIInChI=1S/C10H14FNO/c1-7(6-12)9-4-8(5-11)2-3-10(9)13/h2-4,7,13H,5-6,12H2,1H3
InChIKeyPMMQPNLKNYELMZ-UHFFFAOYSA-N
XLogP1.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
2-(1-aminopropan-2-yl)phenol
CID 3028046
methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate
CID 117305027
2-[3-(fluoromethyl)phenyl]propan-1-amine
CID 84652810
2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117413896
4-(aminomethyl)-2-(difluoromethyl)phenol
CID 84654551
4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278779
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
CID 69188652
2-(2-amino-1-hydroxyethyl)-4-(2,2-dimethylpropyl)phenol
CID 117320726
2-[(1S)-1,2-diaminoethyl]-4-(hydroxymethyl)phenol
CID 55264057

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol (CID 84659168) is 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol is CC(CN)c1cc(CF)ccc1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol?
The InChIKey is PMMQPNLKNYELMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(6-12)9-4-8(5-11)2-3-10(9)13/h2-4,7,13H,5-6,12H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol?
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol has a molecular weight of 183.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol is sourced from PubChem (CID 84659168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).