(1-aminocyclobutyl)-(3-methylphenyl)methanone

C12H15NO — CID 116598453

IUPAC(1-aminocyclobutyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2(N)CCC2)c1
InChIInChI=1S/C12H15NO/c1-9-4-2-5-10(8-9)11(14)12(13)6-3-7-12/h2,4-5,8H,3,6-7,13H2,1H3
InChIKeyUCQMMRJZJAMRNM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.06
Rot. Bonds2

About (1-aminocyclobutyl)-(3-methylphenyl)methanone

(1-aminocyclobutyl)-(3-methylphenyl)methanone (PubChem CID 116598453) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(3-methylphenyl)methanone
PubChem CID116598453
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(1-aminocyclobutyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2(N)CCC2)c1
InChIInChI=1S/C12H15NO/c1-9-4-2-5-10(8-9)11(14)12(13)6-3-7-12/h2,4-5,8H,3,6-7,13H2,1H3
InChIKeyUCQMMRJZJAMRNM-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
methyl 1-(3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922080
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
(1-aminocyclopentyl)-(3-bromophenyl)methanone
CID 82305026
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
CID 102358495
(1-aminocyclopentyl)-(5-methyl-3-pyridinyl)methanone
CID 116558812
bis(3-methylphenyl)methanone
CID 17848
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114962620

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(3-methylphenyl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(3-methylphenyl)methanone (CID 116598453) is (1-aminocyclobutyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(3-methylphenyl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2(N)CCC2)c1.
What is the InChIKey of (1-aminocyclobutyl)-(3-methylphenyl)methanone?
The InChIKey is UCQMMRJZJAMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-4-2-5-10(8-9)11(14)12(13)6-3-7-12/h2,4-5,8H,3,6-7,13H2,1H3.
What are the key properties of (1-aminocyclobutyl)-(3-methylphenyl)methanone?
(1-aminocyclobutyl)-(3-methylphenyl)methanone has a molecular weight of 189.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 116598453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).