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

C16H27NO — CID 62725458

IUPAC2-benzyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCC(CNCCOC)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-4-8-16(14-17-11-12-18-2)13-15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3
InChIKeyUSOOIPTXLDCGCU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.27
Rot. Bonds10

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

2-benzyl-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 62725458) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-benzyl-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-(2-methoxyethyl)hexan-1-amine
PubChem CID62725458
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-benzyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCC(CNCCOC)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-4-8-16(14-17-11-12-18-2)13-15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3
InChIKeyUSOOIPTXLDCGCU-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
2-benzyl-N-propylheptan-1-amine
CID 63496184
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-benzyl-N-methylhexan-1-amine
CID 62529253
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63503350
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
N-(2-methoxyethyl)-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940526

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-benzyl-N-(2-methoxyethyl)hexan-1-amine (CID 62725458) is 2-benzyl-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-benzyl-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-benzyl-N-(2-methoxyethyl)hexan-1-amine is CCCCC(CNCCOC)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is USOOIPTXLDCGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-8-16(14-17-11-12-18-2)13-15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3.
What are the key properties of 2-benzyl-N-(2-methoxyethyl)hexan-1-amine?
2-benzyl-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 62725458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).