3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine

C13H21NO2 — CID 116989176

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
SMILESCCOc1ccc(CCCNC)cc1OC
InChIInChI=1S/C13H21NO2/c1-4-16-12-8-7-11(6-5-9-14-2)10-13(12)15-3/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyMBPOJGFZLNJCTJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.25
Rot. Bonds7

About 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine

3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 116989176) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID116989176
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
SMILESCCOc1ccc(CCCNC)cc1OC
InChIInChI=1S/C13H21NO2/c1-4-16-12-8-7-11(6-5-9-14-2)10-13(12)15-3/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyMBPOJGFZLNJCTJ-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine (CID 116989176) is 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine is CCOc1ccc(CCCNC)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is MBPOJGFZLNJCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-12-8-7-11(6-5-9-14-2)10-13(12)15-3/h7-8,10,14H,4-6,9H2,1-3H3.
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine?
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 116989176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).