(2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol

C15H15ClFNO — CID 68868151

IUPAC(2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol
SMILESN[C@@H](CO)Cc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO/c16-14-8-12(5-6-15(14)17)11-3-1-10(2-4-11)7-13(18)9-19/h1-6,8,13,19H,7,9,18H2/t13-/m1/s1
InChIKeyLAHVOPBRZYEFDB-CYBMUJFWSA-N
MW279.74 g/mol
LogP3.01
Rot. Bonds4

About (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol

(2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol (PubChem CID 68868151) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol
PubChem CID68868151
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol
SMILESN[C@@H](CO)Cc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO/c16-14-8-12(5-6-15(14)17)11-3-1-10(2-4-11)7-13(18)9-19/h1-6,8,13,19H,7,9,18H2/t13-/m1/s1
InChIKeyLAHVOPBRZYEFDB-CYBMUJFWSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol (CID 68868151) is (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol is N[C@@H](CO)Cc1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol?
The InChIKey is LAHVOPBRZYEFDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-14-8-12(5-6-15(14)17)11-3-1-10(2-4-11)7-13(18)9-19/h1-6,8,13,19H,7,9,18H2/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol?
(2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol has a molecular weight of 279.74 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-(3-chloro-4-fluorophenyl)phenyl]propan-1-ol is sourced from PubChem (CID 68868151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).