(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol

C16H16Cl3NO — CID 107860780

IUPAC(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3NO/c17-14-6-7-15(18)16(19)13(14)9-20-12(10-21)8-11-4-2-1-3-5-11/h1-7,12,20-21H,8-10H2/t12-/m1/s1
InChIKeyWLRRFNAZUKBBBT-GFCCVEGCSA-N
MW344.67 g/mol
LogP4.34
Rot. Bonds6

About (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol

(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol (PubChem CID 107860780) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
PubChem CID107860780
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
SMILESOC[C@@H](Cc1ccccc1)NCc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3NO/c17-14-6-7-15(18)16(19)13(14)9-20-12(10-21)8-11-4-2-1-3-5-11/h1-7,12,20-21H,8-10H2/t12-/m1/s1
InChIKeyWLRRFNAZUKBBBT-GFCCVEGCSA-N
XLogP4.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 54.34
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]-3-phenylpropan-1-ol
CID 63260434
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol
CID 107862655
2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 103793106
2-chloro-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]phenol
CID 115907196
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 63260764
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610113

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol (CID 107860780) is (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol is OC[C@@H](Cc1ccccc1)NCc1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol?
The InChIKey is WLRRFNAZUKBBBT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c17-14-6-7-15(18)16(19)13(14)9-20-12(10-21)8-11-4-2-1-3-5-11/h1-7,12,20-21H,8-10H2/t12-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol?
(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol has a molecular weight of 344.67 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 107860780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).