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

C15H15ClFNO — CID 65186297

IUPAC3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c16-14-8-11(17)6-7-12(14)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2
InChIKeyCMBQMFFZRPGKKD-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.26
Rot. Bonds4

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

3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol (PubChem CID 65186297) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
PubChem CID65186297
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c16-14-8-11(17)6-7-12(14)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2
InChIKeyCMBQMFFZRPGKKD-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol (CID 65186297) is 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol is NCC(c1ccccc1)C(O)c1ccc(F)cc1Cl.
What is the InChIKey of 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol?
The InChIKey is CMBQMFFZRPGKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-14-8-11(17)6-7-12(14)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2.
What are the key properties of 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol?
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol has a molecular weight of 279.74 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 65186297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).