1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine

C14H23NO2 — CID 65176672

IUPAC1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
SMILESCCOCCCOc1cccc(C(C)NC)c1
InChIInChI=1S/C14H23NO2/c1-4-16-9-6-10-17-14-8-5-7-13(11-14)12(2)15-3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3
InChIKeyICCSBSVPFLLSOF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds8

About 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine

1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine (PubChem CID 65176672) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
PubChem CID65176672
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
SMILESCCOCCCOc1cccc(C(C)NC)c1
InChIInChI=1S/C14H23NO2/c1-4-16-9-6-10-17-14-8-5-7-13(11-14)12(2)15-3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3
InChIKeyICCSBSVPFLLSOF-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
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

N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
5-[3-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54965992
ethane;1-(3-ethoxypropyl)-2-[1-[3-(2-fluoroethoxy)phenyl]ethyl]hydrazine
CID 142400019
1-(3-ethoxypropyl)-2-[1-[3-(2-methylpropoxy)phenyl]ethyl]hydrazine
CID 142399565
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine (CID 65176672) is 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine is CCOCCCOc1cccc(C(C)NC)c1.
What is the InChIKey of 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine?
The InChIKey is ICCSBSVPFLLSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-16-9-6-10-17-14-8-5-7-13(11-14)12(2)15-3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3.
What are the key properties of 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine?
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 65176672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).