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

C16H27NO — CID 62726236

IUPAC2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-10-16(2,14-17-11-12-18-3)13-15-8-6-5-7-9-15/h5-9,17H,4,10-14H2,1-3H3
InChIKeyKQEIKNOCFRPWBJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.27
Rot. Bonds9

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

2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine (PubChem CID 62726236) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
PubChem CID62726236
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-10-16(2,14-17-11-12-18-3)13-15-8-6-5-7-9-15/h5-9,17H,4,10-14H2,1-3H3
InChIKeyKQEIKNOCFRPWBJ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 82929889
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
CID 55196240
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-phenylsulfanylbutan-1-amine
CID 79227224
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62725425
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215
4-ethyl-N-(2-methoxyethyl)-2-methyl-2-propylhexan-1-amine
CID 82929981
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 79219911
N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine
CID 116518067

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The IUPAC name of 2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine (CID 62726236) is 2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The canonical SMILES for 2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine is CCCC(C)(CNCCOC)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine?
The InChIKey is KQEIKNOCFRPWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-10-16(2,14-17-11-12-18-3)13-15-8-6-5-7-9-15/h5-9,17H,4,10-14H2,1-3H3.
What are the key properties of 2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine?
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.27, 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)-2-methylpentan-1-amine is sourced from PubChem (CID 62726236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).