4-(2-propan-2-yloxyphenoxy)butan-1-amine

C13H21NO2 — CID 164512443

IUPAC4-(2-propan-2-yloxyphenoxy)butan-1-amine
SMILESCC(C)Oc1ccccc1OCCCCN
InChIInChI=1S/C13H21NO2/c1-11(2)16-13-8-4-3-7-12(13)15-10-6-5-9-14/h3-4,7-8,11H,5-6,9-10,14H2,1-2H3
InChIKeyIUFMLVRVSWWJNI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds7

About 4-(2-propan-2-yloxyphenoxy)butan-1-amine

4-(2-propan-2-yloxyphenoxy)butan-1-amine (PubChem CID 164512443) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyphenoxy)butan-1-amine.

Molecular Properties

Compound Name4-(2-propan-2-yloxyphenoxy)butan-1-amine
PubChem CID164512443
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(2-propan-2-yloxyphenoxy)butan-1-amine
SMILESCC(C)Oc1ccccc1OCCCCN
InChIInChI=1S/C13H21NO2/c1-11(2)16-13-8-4-3-7-12(13)15-10-6-5-9-14/h3-4,7-8,11H,5-6,9-10,14H2,1-2H3
InChIKeyIUFMLVRVSWWJNI-UHFFFAOYSA-N
XLogP2.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
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

6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
CID 164512453
N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 2183255
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
CID 2181189
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
CID 117317050
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
2-propan-2-yloxyaniline;hydrochloride
CID 24779669

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyphenoxy)butan-1-amine?
The IUPAC name of 4-(2-propan-2-yloxyphenoxy)butan-1-amine (CID 164512443) is 4-(2-propan-2-yloxyphenoxy)butan-1-amine.
What is the SMILES notation for 4-(2-propan-2-yloxyphenoxy)butan-1-amine?
The canonical SMILES for 4-(2-propan-2-yloxyphenoxy)butan-1-amine is CC(C)Oc1ccccc1OCCCCN.
What is the InChIKey of 4-(2-propan-2-yloxyphenoxy)butan-1-amine?
The InChIKey is IUFMLVRVSWWJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)16-13-8-4-3-7-12(13)15-10-6-5-9-14/h3-4,7-8,11H,5-6,9-10,14H2,1-2H3.
What are the key properties of 4-(2-propan-2-yloxyphenoxy)butan-1-amine?
4-(2-propan-2-yloxyphenoxy)butan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyphenoxy)butan-1-amine is sourced from PubChem (CID 164512443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).