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

C16H17BrClNO — CID 60970927

IUPAC2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
SMILESCC(NCC(O)c1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C16H17BrClNO/c1-11(12-5-4-6-13(17)9-12)19-10-16(20)14-7-2-3-8-15(14)18/h2-9,11,16,19-20H,10H2,1H3
InChIKeyASKFXXGHGMUGCU-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.49
Rot. Bonds5

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

2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol (PubChem CID 60970927) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
PubChem CID60970927
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
SMILESCC(NCC(O)c1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C16H17BrClNO/c1-11(12-5-4-6-13(17)9-12)19-10-16(20)14-7-2-3-8-15(14)18/h2-9,11,16,19-20H,10H2,1H3
InChIKeyASKFXXGHGMUGCU-UHFFFAOYSA-N
XLogP4.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
CID 81382557
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-(4-bromophenyl)ethylamino]ethanol
CID 60734196
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
2-[[[(1S)-1-(3-bromophenyl)ethyl]amino]methyl]-3-chlorophenol
CID 114318274
1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
CID 60980063

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol (CID 60970927) is 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol is CC(NCC(O)c1ccccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol?
The InChIKey is ASKFXXGHGMUGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-11(12-5-4-6-13(17)9-12)19-10-16(20)14-7-2-3-8-15(14)18/h2-9,11,16,19-20H,10H2,1H3.
What are the key properties of 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol?
2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol has a molecular weight of 354.68 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 60970927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).