2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine

C15H25NO2 — CID 62454884

IUPAC2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(Oc1cccc(OC)c1)C(C)C
InChIInChI=1S/C15H25NO2/c1-5-9-16-11-15(12(2)3)18-14-8-6-7-13(10-14)17-4/h6-8,10,12,15-16H,5,9,11H2,1-4H3
InChIKeyFLHXBIDXPYPRDG-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.10
Rot. Bonds8

About 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine

2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine (PubChem CID 62454884) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
PubChem CID62454884
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(Oc1cccc(OC)c1)C(C)C
InChIInChI=1S/C15H25NO2/c1-5-9-16-11-15(12(2)3)18-14-8-6-7-13(10-14)17-4/h6-8,10,12,15-16H,5,9,11H2,1-4H3
InChIKeyFLHXBIDXPYPRDG-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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-(3-ethoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62442572
2-(3-tert-butylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 63498609
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
CID 62485354
2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 107286248
3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62430800

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine (CID 62454884) is 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine is CCCNCC(Oc1cccc(OC)c1)C(C)C.
What is the InChIKey of 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine?
The InChIKey is FLHXBIDXPYPRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-9-16-11-15(12(2)3)18-14-8-6-7-13(10-14)17-4/h6-8,10,12,15-16H,5,9,11H2,1-4H3.
What are the key properties of 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine?
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 62454884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).