1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C16H21NO2 — CID 82719701

IUPAC1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCOc1ccc2ccccc2c1CNOC(C)(C)C
InChIInChI=1S/C16H21NO2/c1-16(2,3)19-17-11-14-13-8-6-5-7-12(13)9-10-15(14)18-4/h5-10,17H,11H2,1-4H3
InChIKeyHLAOOAQQGCHMJH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82719701) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82719701
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCOc1ccc2ccccc2c1CNOC(C)(C)C
InChIInChI=1S/C16H21NO2/c1-16(2,3)19-17-11-14-13-8-6-5-7-12(13)9-10-15(14)18-4/h5-10,17H,11H2,1-4H3
InChIKeyHLAOOAQQGCHMJH-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 82714997
N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
CID 83229536
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
CID 63226555
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
3-[(2-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 43215614
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
2-[(2-methoxynaphthalen-1-yl)methylamino]-5,5-dimethylhexanoic acid
CID 175558771

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82719701) is 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is COc1ccc2ccccc2c1CNOC(C)(C)C.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is HLAOOAQQGCHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,3)19-17-11-14-13-8-6-5-7-12(13)9-10-15(14)18-4/h5-10,17H,11H2,1-4H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82719701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).