(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C13H18N2O2 — CID 107210754

IUPAC(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C13H18N2O2/c1-2-7-13(17)8-15(9-13)12(16)10-5-3-4-6-11(10)14/h3-6,17H,2,7-9,14H2,1H3
InChIKeyLZAHEPXGCJHXBK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds3

About (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107210754) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107210754
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C13H18N2O2/c1-2-7-13(17)8-15(9-13)12(16)10-5-3-4-6-11(10)14/h3-6,17H,2,7-9,14H2,1H3
InChIKeyLZAHEPXGCJHXBK-UHFFFAOYSA-N
XLogP1.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935
[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107223818
(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 107223814
(4-amino-3-bromophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219981
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210694
(4-bromo-2-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 115369585
(2-aminophenyl)-(3-ethyl-3-methylpiperidin-1-yl)methanone
CID 119945515
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 102883842
(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210730
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107210754) is (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2ccccc2N)C1.
What is the InChIKey of (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is LZAHEPXGCJHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-7-13(17)8-15(9-13)12(16)10-5-3-4-6-11(10)14/h3-6,17H,2,7-9,14H2,1H3.
What are the key properties of (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107210754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).