2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide

C14H20N2O3 — CID 61267401

IUPAC2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCOc1ccc(CN)c(OCC(=O)NCC2CC2)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-5-4-11(7-15)13(6-12)19-9-14(17)16-8-10-2-3-10/h4-6,10H,2-3,7-9,15H2,1H3,(H,16,17)
InChIKeyWWLJXIIVJDTDID-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide

2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 61267401) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID61267401
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCOc1ccc(CN)c(OCC(=O)NCC2CC2)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-5-4-11(7-15)13(6-12)19-9-14(17)16-8-10-2-3-10/h4-6,10H,2-3,7-9,15H2,1H3,(H,16,17)
InChIKeyWWLJXIIVJDTDID-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 102702513
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486869
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 61268381
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488645
1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 107656363
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylpropanamide
CID 61268519
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
methyl 3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoate
CID 79621787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide (CID 61267401) is 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide is COc1ccc(CN)c(OCC(=O)NCC2CC2)c1.
What is the InChIKey of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is WWLJXIIVJDTDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-5-4-11(7-15)13(6-12)19-9-14(17)16-8-10-2-3-10/h4-6,10H,2-3,7-9,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide?
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 61267401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).