(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol

C14H20BrNO2 — CID 92858364

IUPAC(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol
SMILESCC1(C)COCCN1C[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-14(2)10-18-8-7-16(14)9-13(17)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyZRJSGWMXSYEGFP-CYBMUJFWSA-N
MW314.22 g/mol
LogP2.59
Rot. Bonds3

About (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol

(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol (PubChem CID 92858364) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol
PubChem CID92858364
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol
SMILESCC1(C)COCCN1C[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-14(2)10-18-8-7-16(14)9-13(17)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyZRJSGWMXSYEGFP-CYBMUJFWSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
CID 103935066
2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 61432961
4-(3-bromo-2-phenylpropyl)-3,3-dimethylmorpholine
CID 65016564
4-bromo-2-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 82986046
1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
CID 113317478
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 47527320
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
2-(2,2-dimethylpiperazin-1-yl)-1-phenylethanol
CID 65461803
1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959682
1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 95285863
4-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethylmorpholine
CID 115591758

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol?
The IUPAC name of (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol (CID 92858364) is (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol?
The canonical SMILES for (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol is CC1(C)COCCN1C[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol?
The InChIKey is ZRJSGWMXSYEGFP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2)10-18-8-7-16(14)9-13(17)11-3-5-12(15)6-4-11/h3-6,13,17H,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol?
(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol is sourced from PubChem (CID 92858364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).