N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine

C14H21N — CID 115765888

IUPACN-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
SMILESCc1ccc(C)c(CNC2(C)CCC2)c1
InChIInChI=1S/C14H21N/c1-11-5-6-12(2)13(9-11)10-15-14(3)7-4-8-14/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyADJVWEPOKDHVSW-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.34
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine

N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine (PubChem CID 115765888) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
PubChem CID115765888
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
SMILESCc1ccc(C)c(CNC2(C)CCC2)c1
InChIInChI=1S/C14H21N/c1-11-5-6-12(2)13(9-11)10-15-14(3)7-4-8-14/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyADJVWEPOKDHVSW-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
CID 115968076
1-(chloromethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopentan-1-amine
CID 65025938
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 113362738
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile
CID 114480814
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212
1-[[(2,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242888

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine (CID 115765888) is N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine is Cc1ccc(C)c(CNC2(C)CCC2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine?
The InChIKey is ADJVWEPOKDHVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-5-6-12(2)13(9-11)10-15-14(3)7-4-8-14/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine?
N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 115765888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).