1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

C16H27NO4 — CID 102928516

IUPAC1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H27NO4/c1-5-17-16(6-7-21-9-8-18-2)13-10-14(19-3)12-15(11-13)20-4/h10-12,16-17H,5-9H2,1-4H3
InChIKeyQKILNWYNQJSXFU-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.41
Rot. Bonds11

About 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine

1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102928516) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102928516
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCCNC(CCOCCOC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H27NO4/c1-5-17-16(6-7-21-9-8-18-2)13-10-14(19-3)12-15(11-13)20-4/h10-12,16-17H,5-9H2,1-4H3
InChIKeyQKILNWYNQJSXFU-UHFFFAOYSA-N
XLogP2.41
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928489
1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105168340
[1-(3,5-dimethoxyphenyl)-3-methoxypropyl]hydrazine
CID 105206483
N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 102928317
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
CID 104986857
N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464
ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
CID 65233825
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
3-(2-methoxyethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 102928240
[1-(3,5-dimethoxyphenyl)-4-ethoxybutyl]hydrazine
CID 105323895

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine (CID 102928516) is 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is CCNC(CCOCCOC)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is QKILNWYNQJSXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-17-16(6-7-21-9-8-18-2)13-10-14(19-3)12-15(11-13)20-4/h10-12,16-17H,5-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine?
1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 2.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102928516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).