N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine

C14H22N2 — CID 117040756

IUPACN-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine
SMILESCc1ccc(C)c(CCN(C)C2CNC2)c1
InChIInChI=1S/C14H22N2/c1-11-4-5-12(2)13(8-11)6-7-16(3)14-9-15-10-14/h4-5,8,14-15H,6-7,9-10H2,1-3H3
InChIKeyNPLILFGGCKZFAN-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.75
Rot. Bonds4

About N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine

N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine (PubChem CID 117040756) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine
PubChem CID117040756
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine
SMILESCc1ccc(C)c(CCN(C)C2CNC2)c1
InChIInChI=1S/C14H22N2/c1-11-4-5-12(2)13(8-11)6-7-16(3)14-9-15-10-14/h4-5,8,14-15H,6-7,9-10H2,1-3H3
InChIKeyNPLILFGGCKZFAN-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146089
[2-(2,5-dimethylphenyl)ethyl-methylamino]methanethiol
CID 115228360
N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 115262334
N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
CID 105372573
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine
CID 115119146
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258971
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methylazetidin-3-amine
CID 117040773
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132235
3-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161715
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
N-[2-(2,5-dimethylphenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168067

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine (CID 117040756) is N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine is Cc1ccc(C)c(CCN(C)C2CNC2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine?
The InChIKey is NPLILFGGCKZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-4-5-12(2)13(8-11)6-7-16(3)14-9-15-10-14/h4-5,8,14-15H,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine?
N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 117040756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).