2-butan-2-yloxy-1-naphthalen-2-ylethanamine

C16H21NO — CID 54944139

IUPAC2-butan-2-yloxy-1-naphthalen-2-ylethanamine
SMILESCCC(C)OCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-3-12(2)18-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16H,3,11,17H2,1-2H3
InChIKeyNRWMBVMCEJKZCP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.65
Rot. Bonds5

About 2-butan-2-yloxy-1-naphthalen-2-ylethanamine

2-butan-2-yloxy-1-naphthalen-2-ylethanamine (PubChem CID 54944139) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-butan-2-yloxy-1-naphthalen-2-ylethanamine
PubChem CID54944139
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-butan-2-yloxy-1-naphthalen-2-ylethanamine
SMILESCCC(C)OCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-3-12(2)18-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16H,3,11,17H2,1-2H3
InChIKeyNRWMBVMCEJKZCP-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
CID 43105278
1-naphthalen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275229
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
2-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 64541977
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
CID 66234275
1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine
CID 160513192

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-butan-2-yloxy-1-naphthalen-2-ylethanamine (CID 54944139) is 2-butan-2-yloxy-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-butan-2-yloxy-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-butan-2-yloxy-1-naphthalen-2-ylethanamine is CCC(C)OCC(N)c1ccc2ccccc2c1.
What is the InChIKey of 2-butan-2-yloxy-1-naphthalen-2-ylethanamine?
The InChIKey is NRWMBVMCEJKZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-12(2)18-11-16(17)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16H,3,11,17H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-1-naphthalen-2-ylethanamine?
2-butan-2-yloxy-1-naphthalen-2-ylethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 54944139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).