2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide

C13H19ClN2O2 — CID 112615776

IUPAC2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
SMILESCCC(N)Cc1cccc(Cl)c1OC(C)C(N)=O
InChIInChI=1S/C13H19ClN2O2/c1-3-10(15)7-9-5-4-6-11(14)12(9)18-8(2)13(16)17/h4-6,8,10H,3,7,15H2,1-2H3,(H2,16,17)
InChIKeyNOVVNLZCVTWRNR-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.87
Rot. Bonds6

About 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide

2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide (PubChem CID 112615776) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
PubChem CID112615776
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
SMILESCCC(N)Cc1cccc(Cl)c1OC(C)C(N)=O
InChIInChI=1S/C13H19ClN2O2/c1-3-10(15)7-9-5-4-6-11(14)12(9)18-8(2)13(16)17/h4-6,8,10H,3,7,15H2,1-2H3,(H2,16,17)
InChIKeyNOVVNLZCVTWRNR-UHFFFAOYSA-N
XLogP1.87
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide
CID 115958552
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 112610531
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
1-[3-chloro-2-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 112615794
2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
CID 112612856
1-[3-chloro-2-(2-methylidenebutoxy)phenyl]butan-2-amine
CID 112615747
4-[[2-(2-aminobutyl)-6-chlorophenoxy]methyl]phenol
CID 115958442
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide (CID 112615776) is 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide is CCC(N)Cc1cccc(Cl)c1OC(C)C(N)=O.
What is the InChIKey of 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide?
The InChIKey is NOVVNLZCVTWRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-10(15)7-9-5-4-6-11(14)12(9)18-8(2)13(16)17/h4-6,8,10H,3,7,15H2,1-2H3,(H2,16,17).
What are the key properties of 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide?
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide is sourced from PubChem (CID 112615776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).