(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol

C14H13Cl2NO — CID 66515616

IUPAC(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol
SMILESN[C@@H](CO)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-6-5-11(7-13(12)16)9-1-3-10(4-2-9)14(17)8-18/h1-7,14,18H,8,17H2/t14-/m0/s1
InChIKeyYMRIQGWDZPGLMA-AWEZNQCLSA-N
MW282.17 g/mol
LogP3.65
Rot. Bonds3

About (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol

(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol (PubChem CID 66515616) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol
PubChem CID66515616
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol
SMILESN[C@@H](CO)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO/c15-12-6-5-11(7-13(12)16)9-1-3-10(4-2-9)14(17)8-18/h1-7,14,18H,8,17H2/t14-/m0/s1
InChIKeyYMRIQGWDZPGLMA-AWEZNQCLSA-N
XLogP3.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 81491989
2-amino-2-(4-chloro-3-ethylphenyl)ethanol
CID 166687598
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
4-(3,4-dichlorophenyl)phenol
CID 6452909
(2R)-2-amino-2-(2,6-dichloro-4-pyridinyl)ethanol
CID 130624818

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol (CID 66515616) is (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol is N[C@@H](CO)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol?
The InChIKey is YMRIQGWDZPGLMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-12-6-5-11(7-13(12)16)9-1-3-10(4-2-9)14(17)8-18/h1-7,14,18H,8,17H2/t14-/m0/s1.
What are the key properties of (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol?
(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol has a molecular weight of 282.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol is sourced from PubChem (CID 66515616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).