[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone

C14H19NO2 — CID 116921250

IUPAC[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C)cc1C(=O)C1(CN)CC1
InChIInChI=1S/C14H19NO2/c1-9-6-10(2)12(17-3)11(7-9)13(16)14(8-15)4-5-14/h6-7H,4-5,8,15H2,1-3H3
InChIKeyOLXZGYWKXDUAQQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone

[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 116921250) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
PubChem CID116921250
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C)cc1C(=O)C1(CN)CC1
InChIInChI=1S/C14H19NO2/c1-9-6-10(2)12(17-3)11(7-9)13(16)14(8-15)4-5-14/h6-7H,4-5,8,15H2,1-3H3
InChIKeyOLXZGYWKXDUAQQ-UHFFFAOYSA-N
XLogP2.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxy-3-methylphenyl)methanone
CID 116921253
1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182693
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone
CID 116921260
[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116603132
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340
N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
CID 115271616
1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918725
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone (CID 116921250) is [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C)cc1C(=O)C1(CN)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is OLXZGYWKXDUAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-6-10(2)12(17-3)11(7-9)13(16)14(8-15)4-5-14/h6-7H,4-5,8,15H2,1-3H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone?
[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 116921250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).