1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine

C15H25NO2 — CID 62455461

IUPAC1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
SMILESCCCCOCCOCc1ccccc1CNC
InChIInChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-13-15-8-6-5-7-14(15)12-16-2/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyKJTZXRSDAHEPHZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.74
Rot. Bonds10

About 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine

1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine (PubChem CID 62455461) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
PubChem CID62455461
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
SMILESCCCCOCCOCc1ccccc1CNC
InChIInChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-13-15-8-6-5-7-14(15)12-16-2/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyKJTZXRSDAHEPHZ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
1-(3-butoxypropyl)-2-methyl-3-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111240376
N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine
CID 62441319
2-[2-(pentoxymethyl)phenyl]acetohydrazide
CID 115465239
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 111692992
3-(2-butoxyethoxymethyl)-1H-indole
CID 170026561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine (CID 62455461) is 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine is CCCCOCCOCc1ccccc1CNC.
What is the InChIKey of 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine?
The InChIKey is KJTZXRSDAHEPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-13-15-8-6-5-7-14(15)12-16-2/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine?
1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62455461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).