N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine

C11H14ClFN2 — CID 102616994

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1cc(F)ccc1Cl)C1CNC1
InChIInChI=1S/C11H14ClFN2/c1-15(10-5-14-6-10)7-8-4-9(13)2-3-11(8)12/h2-4,10,14H,5-7H2,1H3
InChIKeyROGDLIMGRQGHBN-UHFFFAOYSA-N
MW228.70 g/mol
LogP1.88
Rot. Bonds3

About N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine

N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine (PubChem CID 102616994) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine
PubChem CID102616994
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1cc(F)ccc1Cl)C1CNC1
InChIInChI=1S/C11H14ClFN2/c1-15(10-5-14-6-10)7-8-4-9(13)2-3-11(8)12/h2-4,10,14H,5-7H2,1H3
InChIKeyROGDLIMGRQGHBN-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-N-methylazetidin-3-amine
CID 105372573
N-[(2,4-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 66188228
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
3-(azetidin-3-yl)-1-(2-chloro-5-fluorophenyl)butan-2-one
CID 102622242
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164
1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine
CID 102616996
4-N-[(2-chloro-5-fluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 102617001
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 107701864
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine (CID 102616994) is N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine is CN(Cc1cc(F)ccc1Cl)C1CNC1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine?
The InChIKey is ROGDLIMGRQGHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-15(10-5-14-6-10)7-8-4-9(13)2-3-11(8)12/h2-4,10,14H,5-7H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine has a molecular weight of 228.70 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 102616994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).