(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol

C15H14Cl3NO — CID 107862655

IUPAC(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol
SMILESOC[C@H](NCc1c(Cl)ccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl3NO/c16-12-6-7-13(17)15(18)11(12)8-19-14(9-20)10-4-2-1-3-5-10/h1-7,14,19-20H,8-9H2/t14-/m0/s1
InChIKeyUFJUSIKLUZOWQD-AWEZNQCLSA-N
MW330.64 g/mol
LogP4.47
Rot. Bonds5

About (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol

(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol (PubChem CID 107862655) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol
PubChem CID107862655
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol
SMILESOC[C@H](NCc1c(Cl)ccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl3NO/c16-12-6-7-13(17)15(18)11(12)8-19-14(9-20)10-4-2-1-3-5-10/h1-7,14,19-20H,8-9H2/t14-/m0/s1
InChIKeyUFJUSIKLUZOWQD-AWEZNQCLSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 54.47
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-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
CID 114750493
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
CID 103766322
(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol
CID 107862609
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol
CID 103783992
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol (CID 107862655) is (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol is OC[C@H](NCc1c(Cl)ccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol?
The InChIKey is UFJUSIKLUZOWQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c16-12-6-7-13(17)15(18)11(12)8-19-14(9-20)10-4-2-1-3-5-10/h1-7,14,19-20H,8-9H2/t14-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol?
(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol has a molecular weight of 330.64 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol is sourced from PubChem (CID 107862655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).