2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol

C15H19ClF3NO — CID 164620000

IUPAC2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1Cl)C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-20(9-11-7-4-8-12(21)13(11)16)14(15(17,18)19)10-5-2-3-6-10/h4,7-8,10,14,21H,2-3,5-6,9H2,1H3
InChIKeyMEDYRJGDKGOLCC-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.60
Rot. Bonds4

About 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol

2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol (PubChem CID 164620000) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol
PubChem CID164620000
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1Cl)C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-20(9-11-7-4-8-12(21)13(11)16)14(15(17,18)19)10-5-2-3-6-10/h4,7-8,10,14,21H,2-3,5-6,9H2,1H3
InChIKeyMEDYRJGDKGOLCC-UHFFFAOYSA-N
XLogP4.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol?
The IUPAC name of 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol (CID 164620000) is 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol is CN(Cc1cccc(O)c1Cl)C(C1CCCC1)C(F)(F)F.
What is the InChIKey of 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol?
The InChIKey is MEDYRJGDKGOLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-20(9-11-7-4-8-12(21)13(11)16)14(15(17,18)19)10-5-2-3-6-10/h4,7-8,10,14,21H,2-3,5-6,9H2,1H3.
What are the key properties of 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol?
2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol has a molecular weight of 321.77 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[(1-cyclopentyl-2,2,2-trifluoroethyl)-methylamino]methyl]phenol is sourced from PubChem (CID 164620000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).