2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide

C13H19ClN2O3 — CID 102723824

IUPAC2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-9(7-18-2)16-13(17)8-19-11-4-3-10(6-15)12(14)5-11/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyGBJFTQXXAFKQSM-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.33
Rot. Bonds7

About 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide

2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 102723824) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID102723824
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-9(7-18-2)16-13(17)8-19-11-4-3-10(6-15)12(14)5-11/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyGBJFTQXXAFKQSM-UHFFFAOYSA-N
XLogP1.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide
CID 102723806
3-[4-(aminomethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 102723750
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 103566043
N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495334
2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
CID 102723879
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide (CID 102723824) is 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1ccc(CN)c(Cl)c1.
What is the InChIKey of 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is GBJFTQXXAFKQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-9(7-18-2)16-13(17)8-19-11-4-3-10(6-15)12(14)5-11/h3-5,9H,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 286.76 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 102723824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).