1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol

C14H18BrClFNO2 — CID 106762078

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccc(Br)c(Cl)c1F)N1CCOCC1
InChIInChI=1S/C14H18BrClFNO2/c1-14(2,18-5-7-20-8-6-18)13(19)9-3-4-10(15)11(16)12(9)17/h3-4,13,19H,5-8H2,1-2H3
InChIKeyUTELHCKBKSHSDC-UHFFFAOYSA-N
MW366.66 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol

1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol (PubChem CID 106762078) has the molecular formula C14H18BrClFNO2 and a molecular weight of 366.66 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
PubChem CID106762078
Molecular FormulaC14H18BrClFNO2
Molecular Weight366.66 g/mol
Exact Mass365.02
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccc(Br)c(Cl)c1F)N1CCOCC1
InChIInChI=1S/C14H18BrClFNO2/c1-14(2,18-5-7-20-8-6-18)13(19)9-3-4-10(15)11(16)12(9)17/h3-4,13,19H,5-8H2,1-2H3
InChIKeyUTELHCKBKSHSDC-UHFFFAOYSA-N
XLogP3.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.66
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
2-(azepan-1-yl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 106762702
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 106762696
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106761832
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82768722
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 106942723
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 106762104
1-(furan-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 79045813
1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 106267860
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(tert-butylamino)ethanol
CID 106763745
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol (CID 106762078) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol is CC(C)(C(O)c1ccc(Br)c(Cl)c1F)N1CCOCC1.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The InChIKey is UTELHCKBKSHSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO2/c1-14(2,18-5-7-20-8-6-18)13(19)9-3-4-10(15)11(16)12(9)17/h3-4,13,19H,5-8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol has a molecular weight of 366.66 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 106762078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).