1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine

C15H23NO2 — CID 106929188

IUPAC1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1cc(C)ccc1OCOCC1CC1
InChIInChI=1S/C15H23NO2/c1-11-4-7-15(14(8-11)12(2)16-3)18-10-17-9-13-5-6-13/h4,7-8,12-13,16H,5-6,9-10H2,1-3H3
InChIKeyNUEYWPYGKJIAKI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds7

About 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine

1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine (PubChem CID 106929188) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
PubChem CID106929188
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1cc(C)ccc1OCOCC1CC1
InChIInChI=1S/C15H23NO2/c1-11-4-7-15(14(8-11)12(2)16-3)18-10-17-9-13-5-6-13/h4,7-8,12-13,16H,5-6,9-10H2,1-3H3
InChIKeyNUEYWPYGKJIAKI-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine
CID 106929334
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
CID 106929817
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
2-(chloromethyl)-1-(cyclopropylmethoxymethoxy)-4-methylbenzene
CID 106929904
1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 103156475
2-(cyclopropylmethoxymethoxy)-4-methylaniline
CID 106928951
[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 106929979
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
4-[[4-methyl-2-[1-(methylamino)ethyl]phenoxy]methyl]benzonitrile
CID 60889996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine (CID 106929188) is 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine is CNC(C)c1cc(C)ccc1OCOCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine?
The InChIKey is NUEYWPYGKJIAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-7-15(14(8-11)12(2)16-3)18-10-17-9-13-5-6-13/h4,7-8,12-13,16H,5-6,9-10H2,1-3H3.
What are the key properties of 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine?
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine is sourced from PubChem (CID 106929188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).