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

C15H13ClF3NO — CID 62881476

IUPAC2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
SMILESOc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c16-13-7-11(3-6-14(13)21)9-20-8-10-1-4-12(5-2-10)15(17,18)19/h1-7,20-21H,8-9H2
InChIKeyYYFJJOQPDHGTDN-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.35
Rot. Bonds4

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

2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol (PubChem CID 62881476) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
PubChem CID62881476
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
SMILESOc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c16-13-7-11(3-6-14(13)21)9-20-8-10-1-4-12(5-2-10)15(17,18)19/h1-7,20-21H,8-9H2
InChIKeyYYFJJOQPDHGTDN-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol (CID 62881476) is 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol is Oc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol?
The InChIKey is YYFJJOQPDHGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-13-7-11(3-6-14(13)21)9-20-8-10-1-4-12(5-2-10)15(17,18)19/h1-7,20-21H,8-9H2.
What are the key properties of 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol?
2-chloro-4-[[[4-(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 2-chloro-4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 62881476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).