N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine

C15H23N — CID 81017088

IUPACN-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1ccccc1C
InChIInChI=1S/C15H23N/c1-3-16-11-15-9-8-14(15)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyNGZVWGDJRYROMZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.17
Rot. Bonds5

About N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine

N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 81017088) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID81017088
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1ccccc1C
InChIInChI=1S/C15H23N/c1-3-16-11-15-9-8-14(15)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyNGZVWGDJRYROMZ-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
CID 163743067
N,2-dimethyl-3-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64907888
2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035080
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017187
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
CID 64909251

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine (CID 81017088) is N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1CCC1Cc1ccccc1C.
What is the InChIKey of N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is NGZVWGDJRYROMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-16-11-15-9-8-14(15)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine?
N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81017088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).