1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine

C16H27NO2 — CID 82353725

IUPAC1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine
SMILESCCC(N)COCCCOc1ccccc1C(C)C
InChIInChI=1S/C16H27NO2/c1-4-14(17)12-18-10-7-11-19-16-9-6-5-8-15(16)13(2)3/h5-6,8-9,13-14H,4,7,10-12,17H2,1-3H3
InChIKeyCTZPWUUNJIAJPH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.33
Rot. Bonds9

About 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine

1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine (PubChem CID 82353725) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine.

Molecular Properties

Compound Name1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine
PubChem CID82353725
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine
SMILESCCC(N)COCCCOc1ccccc1C(C)C
InChIInChI=1S/C16H27NO2/c1-4-14(17)12-18-10-7-11-19-16-9-6-5-8-15(16)13(2)3/h5-6,8-9,13-14H,4,7,10-12,17H2,1-3H3
InChIKeyCTZPWUUNJIAJPH-UHFFFAOYSA-N
XLogP3.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.33
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-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
1-[3-(2,3-dimethylphenoxy)propoxy]butan-2-amine
CID 82353715
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612
1-octoxy-2-propan-2-ylbenzene
CID 64765685
(1S)-1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 78932925
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 61491479
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine
CID 82353726
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine?
The IUPAC name of 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine (CID 82353725) is 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine.
What is the SMILES notation for 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine?
The canonical SMILES for 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine is CCC(N)COCCCOc1ccccc1C(C)C.
What is the InChIKey of 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine?
The InChIKey is CTZPWUUNJIAJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-14(17)12-18-10-7-11-19-16-9-6-5-8-15(16)13(2)3/h5-6,8-9,13-14H,4,7,10-12,17H2,1-3H3.
What are the key properties of 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine?
1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine is sourced from PubChem (CID 82353725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).