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

C8H7ClF3NO — CID 84690065

IUPAC2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
SMILESNCc1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C8H7ClF3NO/c9-6-2-5(8(10,11)12)1-4(3-13)7(6)14/h1-2,14H,3,13H2
InChIKeyDPNMONIGACPXJK-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.52
Rot. Bonds1

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

2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol (PubChem CID 84690065) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
PubChem CID84690065
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
SMILESNCc1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C8H7ClF3NO/c9-6-2-5(8(10,11)12)1-4(3-13)7(6)14/h1-2,14H,3,13H2
InChIKeyDPNMONIGACPXJK-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.52
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-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]acetonitrile
CID 84797705
2-chloro-6-[(methoxyamino)methyl]-4-(trifluoromethyl)phenol
CID 117391959
2-bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
CID 119020502
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol
CID 12868880
[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]methanamine
CID 171014285
2-(aminomethyl)-6-chloro-4-propan-2-ylphenol
CID 12652136
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
2-(1-aminocyclopentyl)-6-chloro-4-(trifluoromethyl)phenol
CID 117448623
2-(4-aminobutyl)-3-chloro-5-(trifluoromethyl)phenol
CID 117422615
2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)phenol
CID 168512807

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol (CID 84690065) is 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol is NCc1cc(C(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol?
The InChIKey is DPNMONIGACPXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-6-2-5(8(10,11)12)1-4(3-13)7(6)14/h1-2,14H,3,13H2.
What are the key properties of 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol?
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol has a molecular weight of 225.60 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol is sourced from PubChem (CID 84690065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).