N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine

C15H25NO2 — CID 55246297

IUPACN-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(C)cc1OCCOC
InChIInChI=1S/C15H25NO2/c1-5-8-16-13(3)14-7-6-12(2)11-15(14)18-10-9-17-4/h6-7,11,13,16H,5,8-10H2,1-4H3
InChIKeyQRZNOTSQLZMZNK-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.08
Rot. Bonds8

About N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine

N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine (PubChem CID 55246297) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
PubChem CID55246297
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(C)cc1OCCOC
InChIInChI=1S/C15H25NO2/c1-5-8-16-13(3)14-7-6-12(2)11-15(14)18-10-9-17-4/h6-7,11,13,16H,5,8-10H2,1-4H3
InChIKeyQRZNOTSQLZMZNK-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.08
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

3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64554154
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120
5-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]pentanenitrile
CID 63640292
N-ethyl-1-[2-[2-(3-methoxypropoxy)ethoxy]-4-methylphenyl]ethanamine
CID 103177842
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
CID 63641331
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640138
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine (CID 55246297) is N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(C)cc1OCCOC.
What is the InChIKey of N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine?
The InChIKey is QRZNOTSQLZMZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-8-16-13(3)14-7-6-12(2)11-15(14)18-10-9-17-4/h6-7,11,13,16H,5,8-10H2,1-4H3.
What are the key properties of N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine?
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 55246297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).