(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol

C15H15Cl2NO — CID 95026876

IUPAC(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c16-13-8-4-7-12(15(13)17)9-18-14(10-19)11-5-2-1-3-6-11/h1-8,14,18-19H,9-10H2/t14-/m0/s1
InChIKeyPUUBGNZNALEAMR-AWEZNQCLSA-N
MW296.20 g/mol
LogP3.82
Rot. Bonds5

About (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol

(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol (PubChem CID 95026876) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
PubChem CID95026876
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c16-13-8-4-7-12(15(13)17)9-18-14(10-19)11-5-2-1-3-6-11/h1-8,14,18-19H,9-10H2/t14-/m0/s1
InChIKeyPUUBGNZNALEAMR-AWEZNQCLSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol
CID 107862655
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
CID 103766322
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
CID 114750493
(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
CID 103922964
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol (CID 95026876) is (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol is OC[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol?
The InChIKey is PUUBGNZNALEAMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-13-8-4-7-12(15(13)17)9-18-14(10-19)11-5-2-1-3-6-11/h1-8,14,18-19H,9-10H2/t14-/m0/s1.
What are the key properties of (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol?
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol has a molecular weight of 296.20 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 95026876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).