1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine

C17H22BrN — CID 115854226

IUPAC1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc2cc(Br)ccc2c1)C(C)(C)C
InChIInChI=1S/C17H22BrN/c1-5-19-16(17(2,3)4)14-7-6-13-11-15(18)9-8-12(13)10-14/h6-11,16,19H,5H2,1-4H3
InChIKeyQXUAOXQPAWHKAB-UHFFFAOYSA-N
MW320.27 g/mol
LogP5.30
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine

1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 115854226) has the molecular formula C17H22BrN and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID115854226
Molecular FormulaC17H22BrN
Molecular Weight320.27 g/mol
Exact Mass319.09
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc2cc(Br)ccc2c1)C(C)(C)C
InChIInChI=1S/C17H22BrN/c1-5-19-16(17(2,3)4)14-7-6-13-11-15(18)9-8-12(13)10-14/h6-11,16,19H,5H2,1-4H3
InChIKeyQXUAOXQPAWHKAB-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.27
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43488631
1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62395894
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
CID 115814062
1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
CID 115832663
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005145
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523
N,2-diethyl-2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116761218

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 115854226) is 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(c1ccc2cc(Br)ccc2c1)C(C)(C)C.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is QXUAOXQPAWHKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN/c1-5-19-16(17(2,3)4)14-7-6-13-11-15(18)9-8-12(13)10-14/h6-11,16,19H,5H2,1-4H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 320.27 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 115854226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).