N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine

C15H23N — CID 64986462

IUPACN-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)C1CCC1
InChIInChI=1S/C15H23N/c1-4-16-15(13-8-6-9-13)14-10-5-7-11(2)12(14)3/h5,7,10,13,15-16H,4,6,8-9H2,1-3H3
InChIKeyKTNSXAXUULRDJB-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.75
Rot. Bonds4

About N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine

N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 64986462) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID64986462
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)C1CCC1
InChIInChI=1S/C15H23N/c1-4-16-15(13-8-6-9-13)14-10-5-7-11(2)12(14)3/h5,7,10,13,15-16H,4,6,8-9H2,1-3H3
InChIKeyKTNSXAXUULRDJB-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dimethylphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626492
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107985076
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380
N-[(2-chloro-3-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855904
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 105140590

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine (CID 64986462) is N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1C)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is KTNSXAXUULRDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-16-15(13-8-6-9-13)14-10-5-7-11(2)12(14)3/h5,7,10,13,15-16H,4,6,8-9H2,1-3H3.
What are the key properties of N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine?
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 64986462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).