N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine

C15H25NO2 — CID 63985963

IUPACN-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
SMILESCOCc1cccc(OCCCNC(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-15(2,3)16-9-6-10-18-14-8-5-7-13(11-14)12-17-4/h5,7-8,11,16H,6,9-10,12H2,1-4H3
InChIKeyGOMYKQYYILKQJD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds7

About N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine

N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine (PubChem CID 63985963) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
PubChem CID63985963
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
SMILESCOCc1cccc(OCCCNC(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-15(2,3)16-9-6-10-18-14-8-5-7-13(11-14)12-17-4/h5,7-8,11,16H,6,9-10,12H2,1-4H3
InChIKeyGOMYKQYYILKQJD-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
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

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
4-bromo-N-[2-[3-(methoxymethyl)phenoxy]ethyl]aniline
CID 63984837
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103067274
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanethioamide
CID 65257289
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
CID 63985201
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine (CID 63985963) is N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine is COCc1cccc(OCCCNC(C)(C)C)c1.
What is the InChIKey of N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is GOMYKQYYILKQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)16-9-6-10-18-14-8-5-7-13(11-14)12-17-4/h5,7-8,11,16H,6,9-10,12H2,1-4H3.
What are the key properties of N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine?
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63985963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).