[2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol

C14H12F3NO — CID 103818098

IUPAC[2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol
SMILESOCc1ccccc1NCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H12F3NO/c15-11-6-13(17)12(16)5-10(11)7-18-14-4-2-1-3-9(14)8-19/h1-6,18-19H,7-8H2
InChIKeyLZZDDADVUYVKCV-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.21
Rot. Bonds4

About [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol

[2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol (PubChem CID 103818098) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol
PubChem CID103818098
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol
SMILESOCc1ccccc1NCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H12F3NO/c15-11-6-13(17)12(16)5-10(11)7-18-14-4-2-1-3-9(14)8-19/h1-6,18-19H,7-8H2
InChIKeyLZZDDADVUYVKCV-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(hydroxymethyl)anilino]methyl]phenol
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[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
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CID 61318684
[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
[2-[(2,4-dimethylphenyl)methylamino]phenyl]methanol
CID 43743124
N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline
CID 43764592
[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43229655
[2-[[4-(difluoromethyl)phenyl]methylamino]phenyl]methanol
CID 115523759
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]acetamide
CID 75431880
[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol
CID 103818101

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol (CID 103818098) is [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol is OCc1ccccc1NCc1cc(F)c(F)cc1F.
What is the InChIKey of [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol?
The InChIKey is LZZDDADVUYVKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-11-6-13(17)12(16)5-10(11)7-18-14-4-2-1-3-9(14)8-19/h1-6,18-19H,7-8H2.
What are the key properties of [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol?
[2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol has a molecular weight of 267.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 103818098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).