2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine

C15H25NO2 — CID 62571165

IUPAC2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)Oc1ccc(C)cc1C
InChIInChI=1S/C15H25NO2/c1-12-6-7-15(13(2)10-12)18-14(3)11-16-8-5-9-17-4/h6-7,10,14,16H,5,8-9,11H2,1-4H3
InChIKeyZZEWRSKLSHOTCQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.70
Rot. Bonds8

About 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine

2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine (PubChem CID 62571165) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
PubChem CID62571165
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)Oc1ccc(C)cc1C
InChIInChI=1S/C15H25NO2/c1-12-6-7-15(13(2)10-12)18-14(3)11-16-8-5-9-17-4/h6-7,10,14,16H,5,8-9,11H2,1-4H3
InChIKeyZZEWRSKLSHOTCQ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571399
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 62570990
2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
N-(3-methoxypropyl)-2-(3-methylphenyl)sulfanylpropan-1-amine
CID 55091998
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine (CID 62571165) is 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)Oc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is ZZEWRSKLSHOTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-6-7-15(13(2)10-12)18-14(3)11-16-8-5-9-17-4/h6-7,10,14,16H,5,8-9,11H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine?
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 62571165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).