3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine

C15H25NO2 — CID 79628432

IUPAC3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)COc1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-5-10-16-11-15(2,3)12-18-14-9-7-6-8-13(14)17-4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyQUCPTENOHJIGQU-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.10
Rot. Bonds8

About 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine

3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 79628432) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID79628432
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)COc1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-5-10-16-11-15(2,3)12-18-14-9-7-6-8-13(14)17-4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyQUCPTENOHJIGQU-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

2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine
CID 103045759
3-(2,4-dimethylphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79626216
N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
2-[(2-methoxyphenoxy)methyl]-N-propylprop-2-en-1-amine
CID 103066692
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 79626726
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
CID 79626722
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine (CID 79628432) is 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine is CCCNCC(C)(C)COc1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is QUCPTENOHJIGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-10-16-11-15(2,3)12-18-14-9-7-6-8-13(14)17-4/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine?
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-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 3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 79628432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).