N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine

C15H25NO2 — CID 105350948

IUPACN-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
SMILESCCCOCCOCc1ccc(CCNC)cc1
InChIInChI=1S/C15H25NO2/c1-3-10-17-11-12-18-13-15-6-4-14(5-7-15)8-9-16-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyZUVHZOKUZVPTNI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.39
Rot. Bonds10

About N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine

N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine (PubChem CID 105350948) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
PubChem CID105350948
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
SMILESCCCOCCOCc1ccc(CCNC)cc1
InChIInChI=1S/C15H25NO2/c1-3-10-17-11-12-18-13-15-6-4-14(5-7-15)8-9-16-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyZUVHZOKUZVPTNI-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
CID 105348956
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
CID 106205912
N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
CID 105348927
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
[4-[2-(methylamino)ethoxymethyl]phenyl]methanol
CID 106937841
1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
CID 159078637

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine (CID 105350948) is N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine is CCCOCCOCc1ccc(CCNC)cc1.
What is the InChIKey of N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine?
The InChIKey is ZUVHZOKUZVPTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-10-17-11-12-18-13-15-6-4-14(5-7-15)8-9-16-2/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine?
N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 105350948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).