1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

C15H22N2O2 — CID 115452916

IUPAC1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C1(CN)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-13-7-5-4-6-12(13)10-17(2)14(18)15(11-16)8-9-15/h4-7H,3,8-11,16H2,1-2H3
InChIKeyHTKXXJCMRGKHRP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.78
Rot. Bonds6

About 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115452916) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115452916
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C1(CN)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-13-7-5-4-6-12(13)10-17(2)14(18)15(11-16)8-9-15/h4-7H,3,8-11,16H2,1-2H3
InChIKeyHTKXXJCMRGKHRP-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 115452916) is 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide is CCOc1ccccc1CN(C)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is HTKXXJCMRGKHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-13-7-5-4-6-12(13)10-17(2)14(18)15(11-16)8-9-15/h4-7H,3,8-11,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115452916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).