N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine

C18H25NO2 — CID 63055930

IUPACN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCOc1ccc2ccccc2c1CNCC(C)C
InChIInChI=1S/C18H25NO2/c1-14(2)12-19-13-17-16-7-5-4-6-15(16)8-9-18(17)21-11-10-20-3/h4-9,14,19H,10-13H2,1-3H3
InChIKeyJJUMCDXNTPXJQA-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.61
Rot. Bonds8

About N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63055930) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
PubChem CID63055930
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCOc1ccc2ccccc2c1CNCC(C)C
InChIInChI=1S/C18H25NO2/c1-14(2)12-19-13-17-16-7-5-4-6-15(16)8-9-18(17)21-11-10-20-3/h4-9,14,19H,10-13H2,1-3H3
InChIKeyJJUMCDXNTPXJQA-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.61
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

3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63056266
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54804645
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
CID 54804539
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63057433
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine (CID 63055930) is N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine is COCCOc1ccc2ccccc2c1CNCC(C)C.
What is the InChIKey of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JJUMCDXNTPXJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)12-19-13-17-16-7-5-4-6-15(16)8-9-18(17)21-11-10-20-3/h4-9,14,19H,10-13H2,1-3H3.
What are the key properties of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63055930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).