(2-aminophenyl)-(oxan-4-yl)methanone

C12H15NO2 — CID 64834175

IUPAC(2-aminophenyl)-(oxan-4-yl)methanone
SMILESNc1ccccc1C(=O)C1CCOCC1
InChIInChI=1S/C12H15NO2/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9H,5-8,13H2
InChIKeyNYQWPWYPEXDEDZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.88
Rot. Bonds2

About (2-aminophenyl)-(oxan-4-yl)methanone

(2-aminophenyl)-(oxan-4-yl)methanone (PubChem CID 64834175) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2-aminophenyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(oxan-4-yl)methanone
PubChem CID64834175
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2-aminophenyl)-(oxan-4-yl)methanone
SMILESNc1ccccc1C(=O)C1CCOCC1
InChIInChI=1S/C12H15NO2/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9H,5-8,13H2
InChIKeyNYQWPWYPEXDEDZ-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromophenyl)-(oxan-4-yl)methanone
CID 63936269
[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
CID 116577414
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
oxan-4-yl-(2,4,5-trifluorophenyl)methanone
CID 103301496
(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 119947314
[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone
CID 116613219
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
CID 137338787
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
(4-bromothiophen-3-yl)-(oxan-4-yl)methanone
CID 79596494
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone
CID 105099428

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(oxan-4-yl)methanone?
The IUPAC name of (2-aminophenyl)-(oxan-4-yl)methanone (CID 64834175) is (2-aminophenyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(oxan-4-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(oxan-4-yl)methanone is Nc1ccccc1C(=O)C1CCOCC1.
What is the InChIKey of (2-aminophenyl)-(oxan-4-yl)methanone?
The InChIKey is NYQWPWYPEXDEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9H,5-8,13H2.
What are the key properties of (2-aminophenyl)-(oxan-4-yl)methanone?
(2-aminophenyl)-(oxan-4-yl)methanone has a molecular weight of 205.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(oxan-4-yl)methanone is sourced from PubChem (CID 64834175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).