1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol

C16H17Br2NO — CID 60734196

IUPAC1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
SMILESCC(NCC(O)c1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17Br2NO/c1-11(12-5-7-14(17)8-6-12)19-10-16(20)13-3-2-4-15(18)9-13/h2-9,11,16,19-20H,10H2,1H3
InChIKeyBBWKTFNCQHSMAK-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.60
Rot. Bonds5

About 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol

1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol (PubChem CID 60734196) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
PubChem CID60734196
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
SMILESCC(NCC(O)c1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H17Br2NO/c1-11(12-5-7-14(17)8-6-12)19-10-16(20)13-3-2-4-15(18)9-13/h2-9,11,16,19-20H,10H2,1H3
InChIKeyBBWKTFNCQHSMAK-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
CID 60970927
1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
CID 55050060
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol (CID 60734196) is 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol is CC(NCC(O)c1cccc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol?
The InChIKey is BBWKTFNCQHSMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-11(12-5-7-14(17)8-6-12)19-10-16(20)13-3-2-4-15(18)9-13/h2-9,11,16,19-20H,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol?
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol has a molecular weight of 399.13 g/mol, XLogP of 4.60, 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-[1-(4-bromophenyl)ethylamino]ethanol is sourced from PubChem (CID 60734196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).