N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine

C12H17FN2 — CID 105372573

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
SMILESCc1ccc(F)cc1CN(C)C1CNC1
InChIInChI=1S/C12H17FN2/c1-9-3-4-11(13)5-10(9)8-15(2)12-6-14-7-12/h3-5,12,14H,6-8H2,1-2H3
InChIKeyJNNPNQBXPUFACM-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.54
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine

N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine (PubChem CID 105372573) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
PubChem CID105372573
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
SMILESCc1ccc(F)cc1CN(C)C1CNC1
InChIInChI=1S/C12H17FN2/c1-9-3-4-11(13)5-10(9)8-15(2)12-6-14-7-12/h3-5,12,14H,6-8H2,1-2H3
InChIKeyJNNPNQBXPUFACM-UHFFFAOYSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine
CID 102616994
N-[(2,4-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 66188228
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 142839672
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine
CID 117040756
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040697
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
2-[(5-fluoro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 58951723
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 107701864
N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43382206

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine (CID 105372573) is N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine is Cc1ccc(F)cc1CN(C)C1CNC1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine?
The InChIKey is JNNPNQBXPUFACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-3-4-11(13)5-10(9)8-15(2)12-6-14-7-12/h3-5,12,14H,6-8H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine has a molecular weight of 208.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 105372573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).