1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol

C16H21NO2 — CID 60889616

IUPAC1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
SMILESCCC(O)COc1ccc2ccccc2c1CNC
InChIInChI=1S/C16H21NO2/c1-3-13(18)11-19-16-9-8-12-6-4-5-7-14(12)15(16)10-17-2/h4-9,13,17-18H,3,10-11H2,1-2H3
InChIKeyQSSVEAXWNJZPJU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds6

About 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol

1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol (PubChem CID 60889616) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol.

Molecular Properties

Compound Name1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
PubChem CID60889616
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
SMILESCCC(O)COc1ccc2ccccc2c1CNC
InChIInChI=1S/C16H21NO2/c1-3-13(18)11-19-16-9-8-12-6-4-5-7-14(12)15(16)10-17-2/h4-9,13,17-18H,3,10-11H2,1-2H3
InChIKeyQSSVEAXWNJZPJU-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
CID 62229347
1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine
CID 61481605
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
CID 43505510
1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
CID 60888672
methyl 4-[1-(methylaminomethyl)naphthalen-2-yl]oxybutanoate
CID 60888670
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
2-(2-hydroxybutoxy)phenol
CID 58593134
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
N-methyl-1-[2-(1,2,4-oxadiazol-3-ylmethoxy)naphthalen-1-yl]methanamine
CID 60888286
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol?
The IUPAC name of 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol (CID 60889616) is 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol.
What is the SMILES notation for 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol?
The canonical SMILES for 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol is CCC(O)COc1ccc2ccccc2c1CNC.
What is the InChIKey of 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol?
The InChIKey is QSSVEAXWNJZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-13(18)11-19-16-9-8-12-6-4-5-7-14(12)15(16)10-17-2/h4-9,13,17-18H,3,10-11H2,1-2H3.
What are the key properties of 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol?
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol is sourced from PubChem (CID 60889616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).