[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine

C14H23NO4 — CID 104646966

IUPAC[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
SMILESCOCCCCOc1c(OC)cc(CN)cc1OC
InChIInChI=1S/C14H23NO4/c1-16-6-4-5-7-19-14-12(17-2)8-11(10-15)9-13(14)18-3/h8-9H,4-7,10,15H2,1-3H3
InChIKeyARURTYZWSGLOPA-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.97
Rot. Bonds9

About [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine

[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine (PubChem CID 104646966) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
PubChem CID104646966
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
SMILESCOCCCCOc1c(OC)cc(CN)cc1OC
InChIInChI=1S/C14H23NO4/c1-16-6-4-5-7-19-14-12(17-2)8-11(10-15)9-13(14)18-3/h8-9H,4-7,10,15H2,1-3H3
InChIKeyARURTYZWSGLOPA-UHFFFAOYSA-N
XLogP1.97
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.97
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

[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
5-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]pentan-1-ol
CID 55053052
(3,4,5-trioctadecoxyphenyl)methanamine
CID 86674041
5-(chloromethyl)-1,3-dimethoxy-2-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180740
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
[3-chloro-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanamine
CID 113473251
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
CID 61483236
[3-chloro-5-methoxy-4-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191093
[3-bromo-4-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 54856586

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine?
The IUPAC name of [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine (CID 104646966) is [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine is COCCCCOc1c(OC)cc(CN)cc1OC.
What is the InChIKey of [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine?
The InChIKey is ARURTYZWSGLOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-16-6-4-5-7-19-14-12(17-2)8-11(10-15)9-13(14)18-3/h8-9H,4-7,10,15H2,1-3H3.
What are the key properties of [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine?
[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine has a molecular weight of 269.34 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine is sourced from PubChem (CID 104646966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).