1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine

C15H25NO2 — CID 105171328

IUPAC1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-9-17-10-8-15(16)13-6-5-7-14(11-13)18-12(2)3/h5-7,11-12,15H,4,8-10,16H2,1-3H3
InChIKeyYQAAPLKEMNUQQZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.29
Rot. Bonds8

About 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine

1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine (PubChem CID 105171328) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine
PubChem CID105171328
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-9-17-10-8-15(16)13-6-5-7-14(11-13)18-12(2)3/h5-7,11-12,15H,4,8-10,16H2,1-3H3
InChIKeyYQAAPLKEMNUQQZ-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 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 ≤ 53.29
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-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103148997
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 102927565
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 102927944
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 103151840
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine (CID 105171328) is 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine is CCCOCCC(N)c1cccc(OC(C)C)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine?
The InChIKey is YQAAPLKEMNUQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-9-17-10-8-15(16)13-6-5-7-14(11-13)18-12(2)3/h5-7,11-12,15H,4,8-10,16H2,1-3H3.
What are the key properties of 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine?
1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105171328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).