2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine

C17H23NO2 — CID 103178918

IUPAC2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCOCCCOCCNCc1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-19-11-5-12-20-13-10-18-14-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9,18H,5,10-14H2,1H3
InChIKeyAKCSHTRHNPSKEF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.98
Rot. Bonds9

About 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine

2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 103178918) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID103178918
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCOCCCOCCNCc1cccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-19-11-5-12-20-13-10-18-14-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9,18H,5,10-14H2,1H3
InChIKeyAKCSHTRHNPSKEF-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.98
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-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
2-butoxy-N-(isoquinolin-5-ylmethyl)ethanamine
CID 62824958
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)butan-1-amine
CID 106242289
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
1-(4-methoxybutyl)naphthalene
CID 69278949
methyl 4-(naphthalen-1-ylmethylamino)butanoate
CID 60676758
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111406560
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine (CID 103178918) is 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine is COCCCOCCNCc1cccc2ccccc12.
What is the InChIKey of 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is AKCSHTRHNPSKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-19-11-5-12-20-13-10-18-14-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9,18H,5,10-14H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine?
2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 103178918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).