1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine

C14H23NO2 — CID 55019252

IUPAC1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
SMILESCOCCCOC(c1ccccc1C)C(C)N
InChIInChI=1S/C14H23NO2/c1-11-7-4-5-8-13(11)14(12(2)15)17-10-6-9-16-3/h4-5,7-8,12,14H,6,9-10,15H2,1-3H3
InChIKeyFPRMOQXSFATQJQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.44
Rot. Bonds7

About 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine

1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine (PubChem CID 55019252) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
PubChem CID55019252
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine
SMILESCOCCCOC(c1ccccc1C)C(C)N
InChIInChI=1S/C14H23NO2/c1-11-7-4-5-8-13(11)14(12(2)15)17-10-6-9-16-3/h4-5,7-8,12,14H,6,9-10,15H2,1-3H3
InChIKeyFPRMOQXSFATQJQ-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.44
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-[2-(3-methoxypropoxy)ethoxy]-1-(2-methylphenyl)propan-2-amine
CID 103176903
1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine
CID 82004722
1-(2-methylphenyl)-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55018719
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108762
1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018505
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
CID 103401421
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-(2-methylphenyl)-1-(oxan-2-ylmethoxy)propan-2-amine
CID 55019249
1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
CID 103176978
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628932

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine (CID 55019252) is 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine is COCCCOC(c1ccccc1C)C(C)N.
What is the InChIKey of 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine?
The InChIKey is FPRMOQXSFATQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-7-4-5-8-13(11)14(12(2)15)17-10-6-9-16-3/h4-5,7-8,12,14H,6,9-10,15H2,1-3H3.
What are the key properties of 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine?
1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 55019252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).