4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol

C10H12F3NO — CID 115031161

IUPAC4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol
SMILESNCC(Cc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8(6-14)5-7-1-3-9(15)4-2-7/h1-4,8,15H,5-6,14H2
InChIKeyYULVFFMLHHTTAC-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.07
Rot. Bonds3

About 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol

4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol (PubChem CID 115031161) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol
PubChem CID115031161
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol
SMILESNCC(Cc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8(6-14)5-7-1-3-9(15)4-2-7/h1-4,8,15H,5-6,14H2
InChIKeyYULVFFMLHHTTAC-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol
CID 84726902
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid
CID 115039955
(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 170897457
4-(2-amino-4-methylpentyl)phenol
CID 62754924
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol?
The IUPAC name of 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol (CID 115031161) is 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol.
What is the SMILES notation for 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol?
The canonical SMILES for 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol is NCC(Cc1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol?
The InChIKey is YULVFFMLHHTTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)8(6-14)5-7-1-3-9(15)4-2-7/h1-4,8,15H,5-6,14H2.
What are the key properties of 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol?
4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol has a molecular weight of 219.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol is sourced from PubChem (CID 115031161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).