N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine

C16H25NO — CID 165464463

IUPACN-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine
SMILESCOCCC1(CCNCc2ccccc2)CCC1
InChIInChI=1S/C16H25NO/c1-18-13-11-16(8-5-9-16)10-12-17-14-15-6-3-2-4-7-15/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyBXXFJVKRQWZQBP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds8

About N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine

N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine (PubChem CID 165464463) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine
PubChem CID165464463
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine
SMILESCOCCC1(CCNCc2ccccc2)CCC1
InChIInChI=1S/C16H25NO/c1-18-13-11-16(8-5-9-16)10-12-17-14-15-6-3-2-4-7-15/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyBXXFJVKRQWZQBP-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
N-benzyl-2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethanamine
CID 42564070
1-(2-methoxyethyl)-1-propylcyclobutane
CID 164846249
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71918772
N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 103802259
N-benzyl-N'-trimethoxysilylethane-1,2-diamine
CID 174059025
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110052621
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
CID 133410943
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine?
The IUPAC name of N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine (CID 165464463) is N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine.
What is the SMILES notation for N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine?
The canonical SMILES for N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine is COCCC1(CCNCc2ccccc2)CCC1.
What is the InChIKey of N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine?
The InChIKey is BXXFJVKRQWZQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-18-13-11-16(8-5-9-16)10-12-17-14-15-6-3-2-4-7-15/h2-4,6-7,17H,5,8-14H2,1H3.
What are the key properties of N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine?
N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2-methoxyethyl)cyclobutyl]ethanamine is sourced from PubChem (CID 165464463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).