3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine

C16H20BrNO — CID 79628620

IUPAC3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO/c1-16(2,10-18-3)11-19-15-7-5-12-8-14(17)6-4-13(12)9-15/h4-9,18H,10-11H2,1-3H3
InChIKeyABRNCAFXXXJFDL-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.23
Rot. Bonds5

About 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine

3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine (PubChem CID 79628620) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
PubChem CID79628620
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
SMILESCNCC(C)(C)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO/c1-16(2,10-18-3)11-19-15-7-5-12-8-14(17)6-4-13(12)9-15/h4-9,18H,10-11H2,1-3H3
InChIKeyABRNCAFXXXJFDL-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

N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2199935
6-Bromo-2-naphthyl N-butylcarbamate
CID 3361366
7-Benzyloxy-8-bromo-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10472780
(3E)-3-(8-bromo-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 67781610
1-[(6-Bromo-2-naphthyl)oxy]-3-(1-pyrrolidinyl)-2-propanol
CID 2957321
[3-(3-Bromo-phenyl)-3-(naphthalen-1-yloxy)-propyl]-methyl-amine
CID 44359122
[3-(4-Bromo-phenyl)-3-(naphthalen-1-yloxy)-propyl]-methyl-amine
CID 44359318
2-Bromo-6-ethoxynaphthalene
CID 236858
1-(6-Bromo-naphthalen-2-yloxy)-3-morpholin-4-yl-propan-2-ol
CID 2951105
1-Butanamine, N-methyl-4-(2-naphthalenyloxy)-
CID 2948902
N-(n-octyl)-(3-(napthalen-2-yloxy)propyl)amine
CID 10245079
1-(6-Bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-3-yl)methylamino]propan-2-ol
CID 73346617

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine (CID 79628620) is 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine is CNCC(C)(C)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine?
The InChIKey is ABRNCAFXXXJFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-16(2,10-18-3)11-19-15-7-5-12-8-14(17)6-4-13(12)9-15/h4-9,18H,10-11H2,1-3H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine?
3-(6-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-(6-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79628620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).