1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol

C15H24BrNO2 — CID 81074618

IUPAC1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
SMILESCC(C)OCCN(C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-12(2)19-10-9-17(3)8-7-15(18)13-5-4-6-14(16)11-13/h4-6,11-12,15,18H,7-10H2,1-3H3
InChIKeyRELGIZUBJOVZJS-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.23
Rot. Bonds8

About 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol

1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol (PubChem CID 81074618) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
PubChem CID81074618
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
SMILESCC(C)OCCN(C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-12(2)19-10-9-17(3)8-7-15(18)13-5-4-6-14(16)11-13/h4-6,11-12,15,18H,7-10H2,1-3H3
InChIKeyRELGIZUBJOVZJS-UHFFFAOYSA-N
XLogP3.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
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1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
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1-(3-bromophenyl)butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol (CID 81074618) is 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol is CC(C)OCCN(C)CCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol?
The InChIKey is RELGIZUBJOVZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-12(2)19-10-9-17(3)8-7-15(18)13-5-4-6-14(16)11-13/h4-6,11-12,15,18H,7-10H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol is sourced from PubChem (CID 81074618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).