[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone

C14H19NO — CID 116600303

IUPAC[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)C2(CN)CCC2)c1C
InChIInChI=1S/C14H19NO/c1-10-5-3-6-12(11(10)2)13(16)14(9-15)7-4-8-14/h3,5-6H,4,7-9,15H2,1-2H3
InChIKeyPIPHXVRHJXTAPN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.62
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone

[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone (PubChem CID 116600303) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
PubChem CID116600303
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)C2(CN)CCC2)c1C
InChIInChI=1S/C14H19NO/c1-10-5-3-6-12(11(10)2)13(16)14(9-15)7-4-8-14/h3,5-6H,4,7-9,15H2,1-2H3
InChIKeyPIPHXVRHJXTAPN-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970137
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
1-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)cyclopropyl]-(2-hydroxyphenyl)methanone
CID 105444935
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
CID 116600758
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116600912

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone (CID 116600303) is [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)C2(CN)CCC2)c1C.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone?
The InChIKey is PIPHXVRHJXTAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-5-3-6-12(11(10)2)13(16)14(9-15)7-4-8-14/h3,5-6H,4,7-9,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone?
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 116600303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).