1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol

C15H21BrClNO2 — CID 82781390

IUPAC1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
SMILESCC1OCCC1N(C)CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClNO2/c1-10-14(6-8-20-10)18(2)7-5-15(19)12-4-3-11(16)9-13(12)17/h3-4,9-10,14-15,19H,5-8H2,1-2H3
InChIKeyGFLWLZYKTQBWMT-UHFFFAOYSA-N
MW362.70 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol (PubChem CID 82781390) has the molecular formula C15H21BrClNO2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
PubChem CID82781390
Molecular FormulaC15H21BrClNO2
Molecular Weight362.70 g/mol
Exact Mass361.04
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
SMILESCC1OCCC1N(C)CCC(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClNO2/c1-10-14(6-8-20-10)18(2)7-5-15(19)12-4-3-11(16)9-13(12)17/h3-4,9-10,14-15,19H,5-8H2,1-2H3
InChIKeyGFLWLZYKTQBWMT-UHFFFAOYSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715
1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
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1-(3-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743304
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
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CID 82748524
1-[5-bromo-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82971312
1-(4-bromo-2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554767
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893
1-(4-bromo-2-chlorophenyl)-3-[2-(dimethylamino)ethyl-propylamino]propan-1-ol
CID 82777460
1-(4-bromo-2-chlorophenyl)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-1-ol
CID 82781389
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol (CID 82781390) is 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol is CC1OCCC1N(C)CCC(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The InChIKey is GFLWLZYKTQBWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2/c1-10-14(6-8-20-10)18(2)7-5-15(19)12-4-3-11(16)9-13(12)17/h3-4,9-10,14-15,19H,5-8H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol has a molecular weight of 362.70 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 82781390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).