N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine

C16H16ClFN2 — CID 118713805

IUPACN-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine
SMILESFc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1
InChIInChI=1S/C16H16ClFN2/c17-13-7-5-12(6-8-13)11-20(14-9-19-10-14)16-4-2-1-3-15(16)18/h1-8,14,19H,9-11H2
InChIKeyNSLNAFLIDKTSFM-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.46
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine

N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine (PubChem CID 118713805) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine
PubChem CID118713805
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine
SMILESFc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1
InChIInChI=1S/C16H16ClFN2/c17-13-7-5-12(6-8-13)11-20(14-9-19-10-14)16-4-2-1-3-15(16)18/h1-8,14,19H,9-11H2
InChIKeyNSLNAFLIDKTSFM-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine (CID 118713805) is N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine is Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine?
The InChIKey is NSLNAFLIDKTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c17-13-7-5-12(6-8-13)11-20(14-9-19-10-14)16-4-2-1-3-15(16)18/h1-8,14,19H,9-11H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine?
N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine has a molecular weight of 290.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine is sourced from PubChem (CID 118713805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).