2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine

C17H29NO2 — CID 104649362

IUPAC2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCCCC(CNCCOC)Cc1ccccc1
InChIInChI=1S/C17H29NO2/c1-19-12-7-6-10-17(15-18-11-13-20-2)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3
InChIKeyPMYNTJBHVBWBIR-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.90
Rot. Bonds12

About 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine

2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 104649362) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
PubChem CID104649362
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
SMILESCOCCCCC(CNCCOC)Cc1ccccc1
InChIInChI=1S/C17H29NO2/c1-19-12-7-6-10-17(15-18-11-13-20-2)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3
InChIKeyPMYNTJBHVBWBIR-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.90
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

2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
[2-(bromomethyl)-6-methoxyhexyl]benzene
CID 104650695
2-benzyl-6-methoxyhexan-1-amine
CID 104649139
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
2-benzyl-N-propylheptan-1-amine
CID 63496184
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine (CID 104649362) is 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine is COCCCCC(CNCCOC)Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is PMYNTJBHVBWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-19-12-7-6-10-17(15-18-11-13-20-2)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,6-7,10-15H2,1-2H3.
What are the key properties of 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine?
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 2.90, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 104649362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).