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

C17H23NO2 — CID 43505546

IUPACN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
SMILESCCCNCc1c(OCCOC)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-3-10-18-13-16-15-7-5-4-6-14(15)8-9-17(16)20-12-11-19-2/h4-9,18H,3,10-13H2,1-2H3
InChIKeyDYGDLECFBWAZGT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.36
Rot. Bonds8

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

N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine (PubChem CID 43505546) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
PubChem CID43505546
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
SMILESCCCNCc1c(OCCOC)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-3-10-18-13-16-15-7-5-4-6-14(15)8-9-17(16)20-12-11-19-2/h4-9,18H,3,10-13H2,1-2H3
InChIKeyDYGDLECFBWAZGT-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.36
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

N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
CID 54804539
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63057433
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54804645
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
CID 17289991
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine (CID 43505546) is N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine is CCCNCc1c(OCCOC)ccc2ccccc12.
What is the InChIKey of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine?
The InChIKey is DYGDLECFBWAZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-10-18-13-16-15-7-5-4-6-14(15)8-9-17(16)20-12-11-19-2/h4-9,18H,3,10-13H2,1-2H3.
What are the key properties of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine?
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.36, 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]propan-1-amine is sourced from PubChem (CID 43505546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).