2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide

C16H25ClN2O2 — CID 62074581

IUPAC2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(Cl)cc1C(C)NC
InChIInChI=1S/C16H25ClN2O2/c1-5-13(6-2)19-16(20)10-21-15-8-7-12(17)9-14(15)11(3)18-4/h7-9,11,13,18H,5-6,10H2,1-4H3,(H,19,20)
InChIKeyWNMGRNYFGLBHEQ-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.30
Rot. Bonds8

About 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide

2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide (PubChem CID 62074581) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
PubChem CID62074581
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(Cl)cc1C(C)NC
InChIInChI=1S/C16H25ClN2O2/c1-5-13(6-2)19-16(20)10-21-15-8-7-12(17)9-14(15)11(3)18-4/h7-9,11,13,18H,5-6,10H2,1-4H3,(H,19,20)
InChIKeyWNMGRNYFGLBHEQ-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486793
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
CID 63364503
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62074574
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
CID 55031256
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide (CID 62074581) is 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(Cl)cc1C(C)NC.
What is the InChIKey of 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is WNMGRNYFGLBHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-5-13(6-2)19-16(20)10-21-15-8-7-12(17)9-14(15)11(3)18-4/h7-9,11,13,18H,5-6,10H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide?
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 312.84 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 62074581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).