2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide

C14H21ClN2O2 — CID 112615730

IUPAC2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1cccc(Cl)c1OC(C)C(=O)NC
InChIInChI=1S/C14H21ClN2O2/c1-4-11(16)8-10-6-5-7-12(15)13(10)19-9(2)14(18)17-3/h5-7,9,11H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyXYOHXYGLQVAXJV-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide

2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide (PubChem CID 112615730) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
PubChem CID112615730
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1cccc(Cl)c1OC(C)C(=O)NC
InChIInChI=1S/C14H21ClN2O2/c1-4-11(16)8-10-6-5-7-12(15)13(10)19-9(2)14(18)17-3/h5-7,9,11H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyXYOHXYGLQVAXJV-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide
CID 115958552
2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
CID 115962935
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 115958256
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
1-[3-chloro-2-(2-methylidenebutoxy)phenyl]butan-2-amine
CID 112615747
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide (CID 112615730) is 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide is CCC(N)Cc1cccc(Cl)c1OC(C)C(=O)NC.
What is the InChIKey of 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide?
The InChIKey is XYOHXYGLQVAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-11(16)8-10-6-5-7-12(15)13(10)19-9(2)14(18)17-3/h5-7,9,11H,4,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide?
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.13, 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]-N-methylpropanamide is sourced from PubChem (CID 112615730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).