methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine

C17H31NO2 — CID 171818931

IUPACmethoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
SMILESCC(C)CCNCCOCc1ccccc1.CCOC
InChIInChI=1S/C14H23NO.C3H8O/c1-13(2)8-9-15-10-11-16-12-14-6-4-3-5-7-14;1-3-4-2/h3-7,13,15H,8-12H2,1-2H3;3H2,1-2H3
InChIKeyVGCLDWWJSLLTML-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.49
Rot. Bonds9

About methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine

methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine (PubChem CID 171818931) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine.

Molecular Properties

Compound Namemethoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
PubChem CID171818931
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Namemethoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
SMILESCC(C)CCNCCOCc1ccccc1.CCOC
InChIInChI=1S/C14H23NO.C3H8O/c1-13(2)8-9-15-10-11-16-12-14-6-4-3-5-7-14;1-3-4-2/h3-7,13,15H,8-12H2,1-2H3;3H2,1-2H3
InChIKeyVGCLDWWJSLLTML-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.49
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-[(3-chlorophenyl)methoxy]ethyl]-3-methylbutan-1-amine
CID 65125757
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 11850166
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
methoxyethane;4-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
CID 169146674
N-(2-methoxyethyl)-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940526
1-ethyl-2-(3-methylbutyl)-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111963968
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828

Frequently Asked Questions

What is the IUPAC name of methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine?
The IUPAC name of methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine (CID 171818931) is methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine.
What is the SMILES notation for methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine?
The canonical SMILES for methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine is CC(C)CCNCCOCc1ccccc1.CCOC.
What is the InChIKey of methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine?
The InChIKey is VGCLDWWJSLLTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C3H8O/c1-13(2)8-9-15-10-11-16-12-14-6-4-3-5-7-14;1-3-4-2/h3-7,13,15H,8-12H2,1-2H3;3H2,1-2H3.
What are the key properties of methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine?
methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine is sourced from PubChem (CID 171818931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).