2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide

C13H19ClN2O2 — CID 102723806

IUPAC2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-9(2)16-13(17)8-18-11-5-4-10(7-15)12(14)6-11/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyKDSBBYJUIJZCJC-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.09
Rot. Bonds6

About 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide

2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide (PubChem CID 102723806) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide
PubChem CID102723806
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-9(2)16-13(17)8-18-11-5-4-10(7-15)12(14)6-11/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyKDSBBYJUIJZCJC-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 102723824
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
3-[4-(aminomethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 102723750
2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
CID 102723879
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43360889
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide (CID 102723806) is 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1ccc(CN)c(Cl)c1.
What is the InChIKey of 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide?
The InChIKey is KDSBBYJUIJZCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-9(2)16-13(17)8-18-11-5-4-10(7-15)12(14)6-11/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide?
2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide has a molecular weight of 270.76 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 102723806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).