2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine

C16H27NO — CID 62530667

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

About 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine

2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine (PubChem CID 62530667) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
PubChem CID62530667
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
SMILESCOCCC(CNCC(C)C)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-14(2)12-17-13-16(9-10-18-3)11-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyGZDRHNIIOYNLKT-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

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Related Compounds

2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62515635
2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
[2-(chloromethyl)-4-methoxybutyl]benzene
CID 66034058
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-benzyl-N-(2-methylpropyl)-3-trimethylsilylpropan-1-amine
CID 106323109
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine
CID 112752307

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine (CID 62530667) is 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine is COCCC(CNCC(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GZDRHNIIOYNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-14(2)12-17-13-16(9-10-18-3)11-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3.
What are the key properties of 2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine?
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-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-4-methoxy-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62530667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).