(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone

C11H14N2O — CID 130546505

IUPAC(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
SMILESCc1cc(N)ccc1C(=O)N1CCC1
InChIInChI=1S/C11H14N2O/c1-8-7-9(12)3-4-10(8)11(14)13-5-2-6-13/h3-4,7H,2,5-6,12H2,1H3
InChIKeyIJSGVSCCHIBBRW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.42
Rot. Bonds1

About (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone

(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone (PubChem CID 130546505) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
PubChem CID130546505
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
SMILESCc1cc(N)ccc1C(=O)N1CCC1
InChIInChI=1S/C11H14N2O/c1-8-7-9(12)3-4-10(8)11(14)13-5-2-6-13/h3-4,7H,2,5-6,12H2,1H3
InChIKeyIJSGVSCCHIBBRW-UHFFFAOYSA-N
XLogP1.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
tert-butyl 4-(4-amino-2-methylbenzoyl)piperazine-1-carboxylate
CID 104933242
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
[4-(5-amino-2-methylbenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 120622945
(4-amino-2-methylphenyl)-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 172578259
(4-amino-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 161210202
(5-amino-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210135
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
CID 66934139
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone?
The IUPAC name of (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone (CID 130546505) is (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone is Cc1cc(N)ccc1C(=O)N1CCC1.
What is the InChIKey of (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone?
The InChIKey is IJSGVSCCHIBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-7-9(12)3-4-10(8)11(14)13-5-2-6-13/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone?
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone has a molecular weight of 190.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylphenyl)-(azetidin-1-yl)methanone is sourced from PubChem (CID 130546505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).