1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine

C18H21FN2 — CID 142725284

IUPAC1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine
SMILESFc1ccccc1CN(Cc1ccccc1)CC1CNC1
InChIInChI=1S/C18H21FN2/c19-18-9-5-4-8-17(18)14-21(13-16-10-20-11-16)12-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2
InChIKeyVXPOXMTWZWRQJL-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.05
Rot. Bonds6

About 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine

1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine (PubChem CID 142725284) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine
PubChem CID142725284
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine
SMILESFc1ccccc1CN(Cc1ccccc1)CC1CNC1
InChIInChI=1S/C18H21FN2/c19-18-9-5-4-8-17(18)14-21(13-16-10-20-11-16)12-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2
InChIKeyVXPOXMTWZWRQJL-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine (CID 142725284) is 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine is Fc1ccccc1CN(Cc1ccccc1)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine?
The InChIKey is VXPOXMTWZWRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-18-9-5-4-8-17(18)14-21(13-16-10-20-11-16)12-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2.
What are the key properties of 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine?
1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-benzyl-N-[(2-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 142725284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).