3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine

C16H20BrNO — CID 79626901

IUPAC3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H20BrNO/c1-16(2,10-18-3)11-19-14-9-8-12-6-4-5-7-13(12)15(14)17/h4-9,18H,10-11H2,1-3H3
InChIKeyJEMYJOUJSXXQTQ-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.23
Rot. Bonds5

About 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine

3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine (PubChem CID 79626901) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
PubChem CID79626901
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H20BrNO/c1-16(2,10-18-3)11-19-14-9-8-12-6-4-5-7-13(12)15(14)17/h4-9,18H,10-11H2,1-3H3
InChIKeyJEMYJOUJSXXQTQ-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335499
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
CID 79626722
[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 40627603
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122
1-bromo-2-nonoxynaphthalene
CID 63529773
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide
CID 7269676

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine (CID 79626901) is 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)COc1ccc2ccccc2c1Br.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine?
The InChIKey is JEMYJOUJSXXQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-16(2,10-18-3)11-19-14-9-8-12-6-4-5-7-13(12)15(14)17/h4-9,18H,10-11H2,1-3H3.
What are the key properties of 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine?
3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79626901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).