2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide

C14H20N2O2 — CID 43263738

IUPAC2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(CN)cc1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-2-16(12-5-6-12)14(17)10-18-13-7-3-11(9-15)4-8-13/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3
InChIKeyBRBGCTVMAJLKOJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds6

About 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide

2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide (PubChem CID 43263738) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
PubChem CID43263738
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(CN)cc1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-2-16(12-5-6-12)14(17)10-18-13-7-3-11(9-15)4-8-13/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3
InChIKeyBRBGCTVMAJLKOJ-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487869
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide
CID 134007878
N-cyclopropyl-N-ethyl-2-(4-fluoro-3-methylphenoxy)acetamide
CID 81421978
N-cyclopropyl-N-ethyl-2-[3-(ethylaminomethyl)phenoxy]acetamide
CID 61488014
N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 60514359
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
CID 66182970
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
CID 16787196
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide (CID 43263738) is 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1ccc(CN)cc1)C1CC1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is BRBGCTVMAJLKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16(12-5-6-12)14(17)10-18-13-7-3-11(9-15)4-8-13/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide?
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 43263738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).