4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol

C15H13ClF3NO — CID 29050787

IUPAC4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c16-13-4-5-14(21)11(7-13)9-20-8-10-2-1-3-12(6-10)15(17,18)19/h1-7,20-21H,8-9H2
InChIKeyGNOIRYUADKLFLL-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol

4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol (PubChem CID 29050787) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol
PubChem CID29050787
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO/c16-13-4-5-14(21)11(7-13)9-20-8-10-2-1-3-12(6-10)15(17,18)19/h1-7,20-21H,8-9H2
InChIKeyGNOIRYUADKLFLL-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(Benzylamino)ethyl]-4-chlorophenol
CID 2948608
4-Chloro-2-[(dimethylamino)methyl]phenol
CID 308174
2-[(1-Adamantylmethylamino)methyl]-4-chloro-phenol
CID 3637030
4-Chloro-2-(((4-chlorobenzyl)amino)methyl)phenol
CID 25162918
4-Chloro-2-[(naphthalen-1-ylmethylamino)methyl]phenol;hydrochloride
CID 25163922
4-Chloro-2-{[(2-chlorobenzyl)amino]methyl}phenol
CID 28446963
4-[[5-[(4-Chlorophenyl)methylamino]pentylamino]methyl]-2-methylphenol
CID 44534642
4-[[6-[(4-Chlorophenyl)methylamino]hexylamino]methyl]-2-methylphenol
CID 44534645
4-[[7-[(4-Chlorophenyl)methylamino]heptylamino]methyl]-2-methylphenol
CID 44534648
4-Chloro-2-(((2-(trifluoromethyl)benzyl)amino)methyl)phenol
CID 45029992
4-Chloro-2-(((2-methylbenzyl)amino)methyl)phenol
CID 45029994
5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide
CID 135957300

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol (CID 29050787) is 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol is Oc1ccc(Cl)cc1CNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol?
The InChIKey is GNOIRYUADKLFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-13-4-5-14(21)11(7-13)9-20-8-10-2-1-3-12(6-10)15(17,18)19/h1-7,20-21H,8-9H2.
What are the key properties of 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol?
4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol has a molecular weight of 315.72 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 29050787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).