3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide

C14H21ClN2O2 — CID 114322156

IUPAC3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1c(Cl)cccc1OCCC(=O)NC
InChIInChI=1S/C14H21ClN2O2/c1-3-10(16)9-11-12(15)5-4-6-13(11)19-8-7-14(18)17-2/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyVHSJULYEFXVCCX-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.13
Rot. Bonds7

About 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide

3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide (PubChem CID 114322156) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide
PubChem CID114322156
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1c(Cl)cccc1OCCC(=O)NC
InChIInChI=1S/C14H21ClN2O2/c1-3-10(16)9-11-12(15)5-4-6-13(11)19-8-7-14(18)17-2/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyVHSJULYEFXVCCX-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-butylacetamide
CID 114322009
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]butan-2-amine
CID 116617169
1-[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 114322152
ethyl 2-[2-(2-aminobutyl)-3-chlorophenoxy]propanoate
CID 114322013
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 114322096
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide (CID 114322156) is 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide is CCC(N)Cc1c(Cl)cccc1OCCC(=O)NC.
What is the InChIKey of 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide?
The InChIKey is VHSJULYEFXVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-10(16)9-11-12(15)5-4-6-13(11)19-8-7-14(18)17-2/h4-6,10H,3,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide?
3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 114322156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).