2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide

C14H22N2O3 — CID 54929408

IUPAC2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(CC(C)N)ccc1OCC(=O)N(C)C
InChIInChI=1S/C14H22N2O3/c1-10(15)7-11-5-6-12(13(8-11)18-4)19-9-14(17)16(2)3/h5-6,8,10H,7,9,15H2,1-4H3
InChIKeyIXKGRQVFTWZQCK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds6

About 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide

2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide (PubChem CID 54929408) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
PubChem CID54929408
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(CC(C)N)ccc1OCC(=O)N(C)C
InChIInChI=1S/C14H22N2O3/c1-10(15)7-11-5-6-12(13(8-11)18-4)19-9-14(17)16(2)3/h5-6,8,10H,7,9,15H2,1-4H3
InChIKeyIXKGRQVFTWZQCK-UHFFFAOYSA-N
XLogP1.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 60908130
1-[3-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039492
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
CID 107693152
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 60906449
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide (CID 54929408) is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide is COc1cc(CC(C)N)ccc1OCC(=O)N(C)C.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide?
The InChIKey is IXKGRQVFTWZQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(15)7-11-5-6-12(13(8-11)18-4)19-9-14(17)16(2)3/h5-6,8,10H,7,9,15H2,1-4H3.
What are the key properties of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide?
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 54929408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).