1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol

C16H18BrNO — CID 63867516

IUPAC1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H18BrNO/c1-12(13-6-3-2-4-7-13)18-11-16(19)14-8-5-9-15(17)10-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16?/m0/s1
InChIKeySGKPHBVOMWEUBZ-HKALDPMFSA-N
MW320.23 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol

1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol (PubChem CID 63867516) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
PubChem CID63867516
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H18BrNO/c1-12(13-6-3-2-4-7-13)18-11-16(19)14-8-5-9-15(17)10-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16?/m0/s1
InChIKeySGKPHBVOMWEUBZ-HKALDPMFSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
CID 60970927
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 103257311
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol (CID 63867516) is 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol is C[C@H](NCC(O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
The InChIKey is SGKPHBVOMWEUBZ-HKALDPMFSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(13-6-3-2-4-7-13)18-11-16(19)14-8-5-9-15(17)10-14/h2-10,12,16,18-19H,11H2,1H3/t12-,16?/m0/s1.
What are the key properties of 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol?
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol has a molecular weight of 320.23 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 63867516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).