[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone

C12H15NO — CID 116601146

IUPAC[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(CN)CC2)cc1
InChIInChI=1S/C12H15NO/c1-9-2-4-10(5-3-9)11(14)12(8-13)6-7-12/h2-5H,6-8,13H2,1H3
InChIKeyJVFHVKYXKUROEO-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.92
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone

[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone (PubChem CID 116601146) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
PubChem CID116601146
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(CN)CC2)cc1
InChIInChI=1S/C12H15NO/c1-9-2-4-10(5-3-9)11(14)12(8-13)6-7-12/h2-5H,6-8,13H2,1H3
InChIKeyJVFHVKYXKUROEO-UHFFFAOYSA-N
XLogP1.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
CID 116601363
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 116921275
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
N-[2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]ethyl]-4-methylbenzamide
CID 115452960
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
[4-(aminomethyl)oxan-4-yl]-(4-propoxyphenyl)methanone
CID 116603107

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone (CID 116601146) is [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2(CN)CC2)cc1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone?
The InChIKey is JVFHVKYXKUROEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-2-4-10(5-3-9)11(14)12(8-13)6-7-12/h2-5H,6-8,13H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone?
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone has a molecular weight of 189.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 116601146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).