1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine

C14H23NO3 — CID 54935970

IUPAC1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OCCCOC
InChIInChI=1S/C14H23NO3/c1-4-17-14-10-12(11-15-2)6-7-13(14)18-9-5-8-16-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyRFPNEWMSAVDJFF-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine

1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine (PubChem CID 54935970) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
PubChem CID54935970
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OCCCOC
InChIInChI=1S/C14H23NO3/c1-4-17-14-10-12(11-15-2)6-7-13(14)18-9-5-8-16-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyRFPNEWMSAVDJFF-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 115942171
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361669
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
N-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methoxypropan-1-amine
CID 100555664
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine
CID 17209453
1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
CID 93007101
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103409031

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine (CID 54935970) is 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine is CCOc1cc(CNC)ccc1OCCCOC.
What is the InChIKey of 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine?
The InChIKey is RFPNEWMSAVDJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-17-14-10-12(11-15-2)6-7-13(14)18-9-5-8-16-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine?
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 54935970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).