N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine

C13H21NO5 — CID 82714412

IUPACN-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOCCONCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H21NO5/c1-15-5-6-19-14-9-10-7-11(16-2)13(18-4)12(8-10)17-3/h7-8,14H,5-6,9H2,1-4H3
InChIKeyUCIFFMBSECKAHB-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.38
Rot. Bonds9

About N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine

N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 82714412) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID82714412
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOCCONCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H21NO5/c1-15-5-6-19-14-9-10-7-11(16-2)13(18-4)12(8-10)17-3/h7-8,14H,5-6,9H2,1-4H3
InChIKeyUCIFFMBSECKAHB-UHFFFAOYSA-N
XLogP1.38
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine
CID 82715534
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine
CID 82710693
N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
CID 82710687
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
CID 11099240
N-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 102675085
N-(2-methoxyethoxy)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 82714997

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine (CID 82714412) is N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine is COCCONCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is UCIFFMBSECKAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-15-5-6-19-14-9-10-7-11(16-2)13(18-4)12(8-10)17-3/h7-8,14H,5-6,9H2,1-4H3.
What are the key properties of N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine?
N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 271.31 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 82714412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).