2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine

C18H25NO2 — CID 106665394

IUPAC2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine
SMILESCOC(C)(C)CCOCC(N)c1cccc2ccccc12
InChIInChI=1S/C18H25NO2/c1-18(2,20-3)11-12-21-13-17(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13,19H2,1-3H3
InChIKeyMVKLVWROXWOARO-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.67
Rot. Bonds7

About 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine

2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine (PubChem CID 106665394) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine
PubChem CID106665394
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine
SMILESCOC(C)(C)CCOCC(N)c1cccc2ccccc12
InChIInChI=1S/C18H25NO2/c1-18(2,20-3)11-12-21-13-17(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13,19H2,1-3H3
InChIKeyMVKLVWROXWOARO-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-4-methyl-1-naphthalen-1-ylpentan-1-amine
CID 103031528
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-naphthalen-1-yl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82781742
1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184047
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
CID 106665334
2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine
CID 66232471
1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
CID 103031360
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
CID 103028668
3-(3-methoxy-3-methylbutoxy)-2-phenylpropane-1-thiol
CID 106668916

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine (CID 106665394) is 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine is COC(C)(C)CCOCC(N)c1cccc2ccccc12.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine?
The InChIKey is MVKLVWROXWOARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2,20-3)11-12-21-13-17(19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13,19H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine?
2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 106665394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).