1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide

C14H20N2O2 — CID 115182516

IUPAC1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(C)cc1NC(=O)C1(CN)CC1
InChIInChI=1S/C14H20N2O2/c1-9-6-11(12(18-3)7-10(9)2)16-13(17)14(8-15)4-5-14/h6-7H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyDAODWXFYUFTSNT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.99
Rot. Bonds4

About 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 115182516) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID115182516
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(C)cc1NC(=O)C1(CN)CC1
InChIInChI=1S/C14H20N2O2/c1-9-6-11(12(18-3)7-10(9)2)16-13(17)14(8-15)4-5-14/h6-7H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyDAODWXFYUFTSNT-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 115453354
1-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 106954286
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
1-(aminomethyl)-N-(2,4-dibromo-5-methoxyphenyl)cyclohexane-1-carboxamide
CID 103413985
1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848800
1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441980
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
CID 115182511
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
CID 107624981

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide (CID 115182516) is 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide is COc1cc(C)c(C)cc1NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is DAODWXFYUFTSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-11(12(18-3)7-10(9)2)16-13(17)14(8-15)4-5-14/h6-7H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).