2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide

C16H25ClN2O2 — CID 114321631

IUPAC2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cccc(Cl)c1CCN
InChIInChI=1S/C16H25ClN2O2/c1-5-16(3,4)19-15(20)11(2)21-14-8-6-7-13(17)12(14)9-10-18/h6-8,11H,5,9-10,18H2,1-4H3,(H,19,20)
InChIKeyISAJNOIHORBZQM-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.91
Rot. Bonds7

About 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide

2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 114321631) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID114321631
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cccc(Cl)c1CCN
InChIInChI=1S/C16H25ClN2O2/c1-5-16(3,4)19-15(20)11(2)21-14-8-6-7-13(17)12(14)9-10-18/h6-8,11H,5,9-10,18H2,1-4H3,(H,19,20)
InChIKeyISAJNOIHORBZQM-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-ethylpropanamide
CID 113277086
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 114321561
2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 114322624
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904
2-[2-(2,3-dichlorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199788
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43279519
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79800064
(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
CID 95284849

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide (CID 114321631) is 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1cccc(Cl)c1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is ISAJNOIHORBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-5-16(3,4)19-15(20)11(2)21-14-8-6-7-13(17)12(14)9-10-18/h6-8,11H,5,9-10,18H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide?
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 312.84 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 114321631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).