1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine

C14H23NO3 — CID 62018577

IUPAC1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(COCCCOC)c1
InChIInChI=1S/C14H23NO3/c1-15-10-12-5-6-14(17-3)13(9-12)11-18-8-4-7-16-2/h5-6,9,15H,4,7-8,10-11H2,1-3H3
InChIKeyCKYAEIKDEQGFHT-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.97
Rot. Bonds9

About 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine

1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine (PubChem CID 62018577) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
PubChem CID62018577
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(COCCCOC)c1
InChIInChI=1S/C14H23NO3/c1-15-10-12-5-6-14(17-3)13(9-12)11-18-8-4-7-16-2/h5-6,9,15H,4,7-8,10-11H2,1-3H3
InChIKeyCKYAEIKDEQGFHT-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-3-(octoxymethyl)phenyl]-N-methylmethanamine
CID 62018951
1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine
CID 82790045
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
N-[[3-(butoxymethyl)-4-methoxyphenyl]methyl]propan-1-amine
CID 62017264
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654
N-[[4-methoxy-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 62017826
2-methoxy-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62019469
N-[[3-(2-butoxyethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62017074
4-methoxy-3-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177614
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
CID 54936626
3-[[3-(butoxymethyl)-4-methoxyphenyl]methylamino]propan-1-ol
CID 90741984

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine (CID 62018577) is 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine is CNCc1ccc(OC)c(COCCCOC)c1.
What is the InChIKey of 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine?
The InChIKey is CKYAEIKDEQGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15-10-12-5-6-14(17-3)13(9-12)11-18-8-4-7-16-2/h5-6,9,15H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine?
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine has a molecular weight of 253.34 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62018577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).