2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol

C13H20BrNO2 — CID 115637871

IUPAC2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
SMILESCN(CCOc1ccc(Br)cc1)C(C)(C)CO
InChIInChI=1S/C13H20BrNO2/c1-13(2,10-16)15(3)8-9-17-12-6-4-11(14)5-7-12/h4-7,16H,8-10H2,1-3H3
InChIKeyVMAOKFXKJQHJQB-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.53
Rot. Bonds6

About 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol

2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115637871) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
PubChem CID115637871
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
SMILESCN(CCOc1ccc(Br)cc1)C(C)(C)CO
InChIInChI=1S/C13H20BrNO2/c1-13(2,10-16)15(3)8-9-17-12-6-4-11(14)5-7-12/h4-7,16H,8-10H2,1-3H3
InChIKeyVMAOKFXKJQHJQB-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131
2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
CID 115637938
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
CID 63983501
1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 113476446
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
N-[2-(4-bromophenoxy)ethyl]-N-methylformamide
CID 64992570
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
2-[2-(4-bromophenoxy)ethyl]-2-propan-2-ylpropane-1,3-diol
CID 79450916
2-[2-(4-bromophenoxy)ethyl-ethylamino]-2-methylpropanoic acid
CID 62821363
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol (CID 115637871) is 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol is CN(CCOc1ccc(Br)cc1)C(C)(C)CO.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is VMAOKFXKJQHJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-13(2,10-16)15(3)8-9-17-12-6-4-11(14)5-7-12/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol?
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115637871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).