3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine

C16H28N2O2 — CID 114526282

IUPAC3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
SMILESCCCOc1ccc(CCN)c(OCCCN(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-4-11-19-15-7-6-14(8-9-17)16(13-15)20-12-5-10-18(2)3/h6-7,13H,4-5,8-12,17H2,1-3H3
InChIKeyYRZSIQYAJOSGHA-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.31
Rot. Bonds10

About 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine

3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 114526282) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
PubChem CID114526282
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
SMILESCCCOc1ccc(CCN)c(OCCCN(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-4-11-19-15-7-6-14(8-9-17)16(13-15)20-12-5-10-18(2)3/h6-7,13H,4-5,8-12,17H2,1-3H3
InChIKeyYRZSIQYAJOSGHA-UHFFFAOYSA-N
XLogP2.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
CID 104807530
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
3-[4-(aminomethyl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524601
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine (CID 114526282) is 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine is CCCOc1ccc(CCN)c(OCCCN(C)C)c1.
What is the InChIKey of 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is YRZSIQYAJOSGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-11-19-15-7-6-14(8-9-17)16(13-15)20-12-5-10-18(2)3/h6-7,13H,4-5,8-12,17H2,1-3H3.
What are the key properties of 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine?
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114526282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).