4-(azetidin-3-yl)-N-propan-2-ylaniline

C12H18N2 — CID 130058010

IUPAC4-(azetidin-3-yl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(C2CNC2)cc1
InChIInChI=1S/C12H18N2/c1-9(2)14-12-5-3-10(4-6-12)11-7-13-8-11/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyDOFRHZGSXXMEEC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.19
Rot. Bonds3

About 4-(azetidin-3-yl)-N-propan-2-ylaniline

4-(azetidin-3-yl)-N-propan-2-ylaniline (PubChem CID 130058010) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(azetidin-3-yl)-N-propan-2-ylaniline
PubChem CID130058010
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(azetidin-3-yl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(C2CNC2)cc1
InChIInChI=1S/C12H18N2/c1-9(2)14-12-5-3-10(4-6-12)11-7-13-8-11/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyDOFRHZGSXXMEEC-UHFFFAOYSA-N
XLogP2.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 80826

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-N-propan-2-ylaniline?
The IUPAC name of 4-(azetidin-3-yl)-N-propan-2-ylaniline (CID 130058010) is 4-(azetidin-3-yl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(azetidin-3-yl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(azetidin-3-yl)-N-propan-2-ylaniline is CC(C)Nc1ccc(C2CNC2)cc1.
What is the InChIKey of 4-(azetidin-3-yl)-N-propan-2-ylaniline?
The InChIKey is DOFRHZGSXXMEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)14-12-5-3-10(4-6-12)11-7-13-8-11/h3-6,9,11,13-14H,7-8H2,1-2H3.
What are the key properties of 4-(azetidin-3-yl)-N-propan-2-ylaniline?
4-(azetidin-3-yl)-N-propan-2-ylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-N-propan-2-ylaniline is sourced from PubChem (CID 130058010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).