(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol

C17H19BrFNO — CID 104926128

IUPAC(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@@H](CO)Cc1ccccc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFNO/c1-12(14-7-8-17(19)16(18)10-14)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3/t12?,15-/m1/s1
InChIKeyZBIDADBJVCNDLW-WPZCJLIBSA-N
MW352.25 g/mol
LogP3.84
Rot. Bonds6

About (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol

(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 104926128) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID104926128
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(N[C@@H](CO)Cc1ccccc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H19BrFNO/c1-12(14-7-8-17(19)16(18)10-14)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3/t12?,15-/m1/s1
InChIKeyZBIDADBJVCNDLW-WPZCJLIBSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260929
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine
CID 63462421
2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43769191
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727
2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260760
3-[1-(3-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 81339647
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556
2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol (CID 104926128) is (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol is CC(N[C@@H](CO)Cc1ccccc1)c1ccc(F)c(Br)c1.
What is the InChIKey of (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is ZBIDADBJVCNDLW-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(14-7-8-17(19)16(18)10-14)20-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15,20-21H,9,11H2,1H3/t12?,15-/m1/s1.
What are the key properties of (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol?
(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 352.25 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104926128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).