1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol

C16H17BrClNO — CID 81354599

IUPAC1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-11(12-5-7-15(18)8-6-12)19-10-16(20)13-3-2-4-14(17)9-13/h2-9,11,16,19-20H,10H2,1H3/t11-,16?/m0/s1
InChIKeyFXMMWKYFJSTABE-CHPOKUKFSA-N
MW354.68 g/mol
LogP4.49
Rot. Bonds5

About 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol

1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol (PubChem CID 81354599) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
PubChem CID81354599
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-11(12-5-7-15(18)8-6-12)19-10-16(20)13-3-2-4-14(17)9-13/h2-9,11,16,19-20H,10H2,1H3/t11-,16?/m0/s1
InChIKeyFXMMWKYFJSTABE-CHPOKUKFSA-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-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
2-[1-(3-bromophenyl)ethylamino]-1-(2-chlorophenyl)ethanol
CID 60970927
(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-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol (CID 81354599) is 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol is C[C@H](NCC(O)c1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol?
The InChIKey is FXMMWKYFJSTABE-CHPOKUKFSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-11(12-5-7-15(18)8-6-12)19-10-16(20)13-3-2-4-14(17)9-13/h2-9,11,16,19-20H,10H2,1H3/t11-,16?/m0/s1.
What are the key properties of 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol?
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]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 1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol is sourced from PubChem (CID 81354599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).