1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine

C15H24BrNO2 — CID 103486933

IUPAC1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine
SMILESCCOCC(C)OC(c1ccc(Br)cc1)C(N)CC
InChIInChI=1S/C15H24BrNO2/c1-4-14(17)15(19-11(3)10-18-5-2)12-6-8-13(16)9-7-12/h6-9,11,14-15H,4-5,10,17H2,1-3H3
InChIKeyWERPPEOOVKFBLM-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.67
Rot. Bonds8

About 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine

1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine (PubChem CID 103486933) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine
PubChem CID103486933
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine
SMILESCCOCC(C)OC(c1ccc(Br)cc1)C(N)CC
InChIInChI=1S/C15H24BrNO2/c1-4-14(17)15(19-11(3)10-18-5-2)12-6-8-13(16)9-7-12/h6-9,11,14-15H,4-5,10,17H2,1-3H3
InChIKeyWERPPEOOVKFBLM-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-1-(2-methylpropoxy)butan-2-amine
CID 55015797
1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 55015557
1-(4-bromophenyl)-1-(2-methoxyethoxy)butan-2-amine
CID 55015747
1-(3-bromophenyl)-1-butan-2-yloxybutan-2-amine
CID 55017913
1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine
CID 63460276
1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
CID 62115253
1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine
CID 103486697
1-(4-bromophenyl)-1-(3,5-difluorophenoxy)butan-2-amine
CID 62784834
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene
CID 124500582
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
1-(4-fluorophenyl)-1-octan-2-yloxybutan-2-amine
CID 63461188

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine (CID 103486933) is 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine is CCOCC(C)OC(c1ccc(Br)cc1)C(N)CC.
What is the InChIKey of 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine?
The InChIKey is WERPPEOOVKFBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-4-14(17)15(19-11(3)10-18-5-2)12-6-8-13(16)9-7-12/h6-9,11,14-15H,4-5,10,17H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine?
1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 103486933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).