(4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone

C14H18N2O3 — CID 107210407

IUPAC(4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
SMILESCOc1cc(N)ccc1C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C14H18N2O3/c1-19-12-6-10(15)4-5-11(12)13(17)16-7-14(18,8-16)9-2-3-9/h4-6,9,18H,2-3,7-8,15H2,1H3
InChIKeyHGMMCMDFDFCGNX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.87
Rot. Bonds3

About (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone

(4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 107210407) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID107210407
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
SMILESCOc1cc(N)ccc1C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C14H18N2O3/c1-19-12-6-10(15)4-5-11(12)13(17)16-7-14(18,8-16)9-2-3-9/h4-6,9,18H,2-3,7-8,15H2,1H3
InChIKeyHGMMCMDFDFCGNX-UHFFFAOYSA-N
XLogP0.87
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 172647128
(2-amino-5-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107210340
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
3-[4-(4-amino-2-methoxybenzoyl)piperazin-1-yl]propanenitrile
CID 107207970
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
(4-chloro-2-methoxyphenyl)-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone
CID 72881471
(4-bromo-2-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 115369585
(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105063024
2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide
CID 79822776
(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63156948
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone (CID 107210407) is (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone is COc1cc(N)ccc1C(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is HGMMCMDFDFCGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-12-6-10(15)4-5-11(12)13(17)16-7-14(18,8-16)9-2-3-9/h4-6,9,18H,2-3,7-8,15H2,1H3.
What are the key properties of (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone?
(4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107210407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).