N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine

C14H21FN2 — CID 129264272

IUPACN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine
SMILESCC(C)c1cc(F)cc(CNC2CN(C)C2)c1
InChIInChI=1S/C14H21FN2/c1-10(2)12-4-11(5-13(15)6-12)7-16-14-8-17(3)9-14/h4-6,10,14,16H,7-9H2,1-3H3
InChIKeyMCPFSMZRKRRHAN-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.35
Rot. Bonds4

About N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine

N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine (PubChem CID 129264272) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine
PubChem CID129264272
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine
SMILESCC(C)c1cc(F)cc(CNC2CN(C)C2)c1
InChIInChI=1S/C14H21FN2/c1-10(2)12-4-11(5-13(15)6-12)7-16-14-8-17(3)9-14/h4-6,10,14,16H,7-9H2,1-3H3
InChIKeyMCPFSMZRKRRHAN-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine?
The IUPAC name of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine (CID 129264272) is N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine.
What is the SMILES notation for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine?
The canonical SMILES for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine is CC(C)c1cc(F)cc(CNC2CN(C)C2)c1.
What is the InChIKey of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine?
The InChIKey is MCPFSMZRKRRHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)12-4-11(5-13(15)6-12)7-16-14-8-17(3)9-14/h4-6,10,14,16H,7-9H2,1-3H3.
What are the key properties of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine?
N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine is sourced from PubChem (CID 129264272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).