2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine

C16H27NO — CID 62725640

IUPAC2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
SMILESCOCCNCC(Cc1ccccc1)CC(C)C
InChIInChI=1S/C16H27NO/c1-14(2)11-16(13-17-9-10-18-3)12-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyMJTFZKHWDHEZRA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.13
Rot. Bonds9

About 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine

2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine (PubChem CID 62725640) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
PubChem CID62725640
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
SMILESCOCCNCC(Cc1ccccc1)CC(C)C
InChIInChI=1S/C16H27NO/c1-14(2)11-16(13-17-9-10-18-3)12-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyMJTFZKHWDHEZRA-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.13
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-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 55111296
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62725650
N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63507800
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-5-methylhexan-1-amine
CID 62718541
N-(2-methoxyethyl)-5-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62718638
N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 62717677

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The IUPAC name of 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine (CID 62725640) is 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The canonical SMILES for 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine is COCCNCC(Cc1ccccc1)CC(C)C.
What is the InChIKey of 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine?
The InChIKey is MJTFZKHWDHEZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-14(2)11-16(13-17-9-10-18-3)12-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3.
What are the key properties of 2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine?
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.13, 9 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)-4-methylpentan-1-amine is sourced from PubChem (CID 62725640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).