1-(3-phenylazetidin-1-yl)propan-2-amine

C12H18N2 — CID 79678863

IUPAC1-(3-phenylazetidin-1-yl)propan-2-amine
SMILESCC(N)CN1CC(c2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-10(13)7-14-8-12(9-14)11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
InChIKeyVVYFXSACXKPUDQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.43
Rot. Bonds3

About 1-(3-phenylazetidin-1-yl)propan-2-amine

1-(3-phenylazetidin-1-yl)propan-2-amine (PubChem CID 79678863) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-phenylazetidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-phenylazetidin-1-yl)propan-2-amine
PubChem CID79678863
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(3-phenylazetidin-1-yl)propan-2-amine
SMILESCC(N)CN1CC(c2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-10(13)7-14-8-12(9-14)11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
InChIKeyVVYFXSACXKPUDQ-UHFFFAOYSA-N
XLogP1.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylazetidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-phenylazetidin-1-yl)propan-2-amine (CID 79678863) is 1-(3-phenylazetidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-phenylazetidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-phenylazetidin-1-yl)propan-2-amine is CC(N)CN1CC(c2ccccc2)C1.
What is the InChIKey of 1-(3-phenylazetidin-1-yl)propan-2-amine?
The InChIKey is VVYFXSACXKPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(13)7-14-8-12(9-14)11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3.
What are the key properties of 1-(3-phenylazetidin-1-yl)propan-2-amine?
1-(3-phenylazetidin-1-yl)propan-2-amine has a molecular weight of 190.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylazetidin-1-yl)propan-2-amine is sourced from PubChem (CID 79678863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).