1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine

C15H25NO4 — CID 65176513

IUPAC1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCCOCCCOc1c(OC)cc(CNC)cc1OC
InChIInChI=1S/C15H25NO4/c1-5-19-7-6-8-20-15-13(17-3)9-12(11-16-2)10-14(15)18-4/h9-10,16H,5-8,11H2,1-4H3
InChIKeyPXAMLFLMKLBOQF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.23
Rot. Bonds10

About 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine

1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine (PubChem CID 65176513) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
PubChem CID65176513
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCCOCCCOc1c(OC)cc(CNC)cc1OC
InChIInChI=1S/C15H25NO4/c1-5-19-7-6-8-20-15-13(17-3)9-12(11-16-2)10-14(15)18-4/h9-10,16H,5-8,11H2,1-4H3
InChIKeyPXAMLFLMKLBOQF-UHFFFAOYSA-N
XLogP2.23
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.23
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

1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
1-(3-chloro-5-methoxy-4-octoxyphenyl)-N-methylmethanamine
CID 43276494
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
1-[3-bromo-5-methoxy-4-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449961
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 62104186
1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 106929200
1-bromo-5-(chloromethyl)-2-(3-ethoxypropoxy)-3-methoxybenzene
CID 65175709
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702470

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine (CID 65176513) is 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine is CCOCCCOc1c(OC)cc(CNC)cc1OC.
What is the InChIKey of 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The InChIKey is PXAMLFLMKLBOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-19-7-6-8-20-15-13(17-3)9-12(11-16-2)10-14(15)18-4/h9-10,16H,5-8,11H2,1-4H3.
What are the key properties of 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine has a molecular weight of 283.37 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 65176513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).