1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol

C15H22BrNO2 — CID 62618821

IUPAC1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Br)cc1)C1CCOCC1
InChIInChI=1S/C15H22BrNO2/c1-17(14-7-10-19-11-8-14)9-6-15(18)12-2-4-13(16)5-3-12/h2-5,14-15,18H,6-11H2,1H3
InChIKeyCEAISODQXWGQRR-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol

1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol (PubChem CID 62618821) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
PubChem CID62618821
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Br)cc1)C1CCOCC1
InChIInChI=1S/C15H22BrNO2/c1-17(14-7-10-19-11-8-14)9-6-15(18)12-2-4-13(16)5-3-12/h2-5,14-15,18H,6-11H2,1H3
InChIKeyCEAISODQXWGQRR-UHFFFAOYSA-N
XLogP2.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617810
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine
CID 144600556
1-(4-bromophenyl)-2-[methyl-(1-oxothian-4-yl)amino]ethanol
CID 111858398
3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82073844
1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 107401727
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol (CID 62618821) is 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol is CN(CCC(O)c1ccc(Br)cc1)C1CCOCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol?
The InChIKey is CEAISODQXWGQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17(14-7-10-19-11-8-14)9-6-15(18)12-2-4-13(16)5-3-12/h2-5,14-15,18H,6-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol?
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol is sourced from PubChem (CID 62618821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).