2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide

C14H21ClN2O2 — CID 55132194

IUPAC2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
SMILESCCNC(C)c1cc(Cl)ccc1OC(CC)C(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-4-12(14(16)18)19-13-7-6-10(15)8-11(13)9(3)17-5-2/h6-9,12,17H,4-5H2,1-3H3,(H2,16,18)
InChIKeyLIUCQWMUTUUKGC-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.65
Rot. Bonds7

About 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide

2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide (PubChem CID 55132194) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
PubChem CID55132194
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
SMILESCCNC(C)c1cc(Cl)ccc1OC(CC)C(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-4-12(14(16)18)19-13-7-6-10(15)8-11(13)9(3)17-5-2/h6-9,12,17H,4-5H2,1-3H3,(H2,16,18)
InChIKeyLIUCQWMUTUUKGC-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)butanamide
CID 62901251
2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
CID 82922031
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
CID 62074412
1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]butanoic acid
CID 64661973
2-(2-carbamothioyl-5-chlorophenoxy)butanamide
CID 113277371
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
2-[2-[1-(ethylamino)propyl]phenoxy]butanamide
CID 62900584
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 55131608

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide?
The IUPAC name of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide (CID 55132194) is 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide.
What is the SMILES notation for 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide?
The canonical SMILES for 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide is CCNC(C)c1cc(Cl)ccc1OC(CC)C(N)=O.
What is the InChIKey of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide?
The InChIKey is LIUCQWMUTUUKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-12(14(16)18)19-13-7-6-10(15)8-11(13)9(3)17-5-2/h6-9,12,17H,4-5H2,1-3H3,(H2,16,18).
What are the key properties of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide?
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide has a molecular weight of 284.79 g/mol, XLogP of 2.65, 7 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-(ethylamino)ethyl]phenoxy]butanamide is sourced from PubChem (CID 55132194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).