1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine

C18H25NO — CID 61481605

IUPAC1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine
SMILESCNCc1c(OCCC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C18H25NO/c1-18(2,3)11-12-20-17-10-9-14-7-5-6-8-15(14)16(17)13-19-4/h5-10,19H,11-13H2,1-4H3
InChIKeyKYTJGLUWBOJYIY-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.37
Rot. Bonds5

About 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine

1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine (PubChem CID 61481605) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine
PubChem CID61481605
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine
SMILESCNCc1c(OCCC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C18H25NO/c1-18(2,3)11-12-20-17-10-9-14-7-5-6-8-15(14)16(17)13-19-4/h5-10,19H,11-13H2,1-4H3
InChIKeyKYTJGLUWBOJYIY-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
CID 62229347
methyl 4-[1-(methylaminomethyl)naphthalen-2-yl]oxybutanoate
CID 60888670
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine
CID 60888286
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
CID 43505510
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54804645
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
1-ethyl-2-propoxynaphthalene
CID 129259410
1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589889
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine (CID 61481605) is 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine is CNCc1c(OCCC(C)(C)C)ccc2ccccc12.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine?
The InChIKey is KYTJGLUWBOJYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-18(2,3)11-12-20-17-10-9-14-7-5-6-8-15(14)16(17)13-19-4/h5-10,19H,11-13H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine?
1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine is sourced from PubChem (CID 61481605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).