2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide

C14H22N2O3 — CID 43122479

IUPAC2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(CN)ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C14H22N2O3/c1-5-18-13-8-11(9-15)6-7-12(13)19-10(2)14(17)16(3)4/h6-8,10H,5,9,15H2,1-4H3
InChIKeyOGZZUWJSUKVSHY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.40
Rot. Bonds6

About 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide

2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide (PubChem CID 43122479) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
PubChem CID43122479
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(CN)ccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C14H22N2O3/c1-5-18-13-8-11(9-15)6-7-12(13)19-10(2)14(17)16(3)4/h6-8,10H,5,9,15H2,1-4H3
InChIKeyOGZZUWJSUKVSHY-UHFFFAOYSA-N
XLogP1.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide
CID 119108457
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
CID 60878105
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 60908130
(E)-2-cyano-3-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]prop-2-enamide
CID 7911553
(2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 97101119
(2S)-2-[2-ethoxy-4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 32665247
2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
CID 107655685
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
CID 82160972
(2S)-2-[2-ethoxy-4-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenoxy]-N,N-dimethylpropanamide
CID 9448352
2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
CID 141481719
(2S)-2-[4-[(E)-3-(2,5-dimethylthiophen-3-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 9448494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide (CID 43122479) is 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide is CCOc1cc(CN)ccc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide?
The InChIKey is OGZZUWJSUKVSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-18-13-8-11(9-15)6-7-12(13)19-10(2)14(17)16(3)4/h6-8,10H,5,9,15H2,1-4H3.
What are the key properties of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide?
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 43122479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).