1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol

C15H15ClFNO — CID 103039138

IUPAC1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol
SMILESNCC(O)(Cc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15ClFNO/c16-13-8-11(6-7-14(13)17)9-15(19,10-18)12-4-2-1-3-5-12/h1-8,19H,9-10,18H2
InChIKeyCEQOARRKBKFLMQ-UHFFFAOYSA-N
MW279.74 g/mol
LogP2.87
Rot. Bonds4

About 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol

1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol (PubChem CID 103039138) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol
PubChem CID103039138
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol
SMILESNCC(O)(Cc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15ClFNO/c16-13-8-11(6-7-14(13)17)9-15(19,10-18)12-4-2-1-3-5-12/h1-8,19H,9-10,18H2
InChIKeyCEQOARRKBKFLMQ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol (CID 103039138) is 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol is NCC(O)(Cc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol?
The InChIKey is CEQOARRKBKFLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-8-11(6-7-14(13)17)9-15(19,10-18)12-4-2-1-3-5-12/h1-8,19H,9-10,18H2.
What are the key properties of 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol?
1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol has a molecular weight of 279.74 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol is sourced from PubChem (CID 103039138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).