2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol

C9H10F3NO — CID 21416993

IUPAC2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol
SMILESCc1cc(CN)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-5-2-6(4-13)8(14)7(3-5)9(10,11)12/h2-3,14H,4,13H2,1H3
InChIKeyZXACLLAJFKCHIT-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.18
Rot. Bonds1

About 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol

2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol (PubChem CID 21416993) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol
PubChem CID21416993
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol
SMILESCc1cc(CN)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-5-2-6(4-13)8(14)7(3-5)9(10,11)12/h2-3,14H,4,13H2,1H3
InChIKeyZXACLLAJFKCHIT-UHFFFAOYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(aminomethyl)-4-methylphenol
CID 82417085
2-iodo-5-methyl-3-(trifluoromethyl)phenol
CID 171835549
[2-iodo-4-methyl-6-(trifluoromethyl)phenyl]methanamine
CID 171018822
4-methyl-2,6-bis(trifluoromethyl)aniline
CID 58782199
3-(aminomethyl)-2-hydroxy-5-methylbenzenesulfonamide
CID 13210326
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
1-(chloromethyl)-2,5-dimethyl-3-(trifluoromethyl)benzene
CID 171016336
1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene
CID 147457037
5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol?
The IUPAC name of 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol (CID 21416993) is 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol is Cc1cc(CN)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol?
The InChIKey is ZXACLLAJFKCHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5-2-6(4-13)8(14)7(3-5)9(10,11)12/h2-3,14H,4,13H2,1H3.
What are the key properties of 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol?
2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol has a molecular weight of 205.18 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol is sourced from PubChem (CID 21416993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).