1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine

C16H27NO3 — CID 61483305

IUPAC1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OC)c1OCCOC(C)C
InChIInChI=1S/C16H27NO3/c1-5-14(17)11-13-7-6-8-15(18-4)16(13)20-10-9-19-12(2)3/h6-8,12,14H,5,9-11,17H2,1-4H3
InChIKeyGKPAPSAYCOQHPO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.78
Rot. Bonds9

About 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine

1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine (PubChem CID 61483305) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
PubChem CID61483305
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OC)c1OCCOC(C)C
InChIInChI=1S/C16H27NO3/c1-5-14(17)11-13-7-6-8-15(18-4)16(13)20-10-9-19-12(2)3/h6-8,12,14H,5,9-11,17H2,1-4H3
InChIKeyGKPAPSAYCOQHPO-UHFFFAOYSA-N
XLogP2.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
1-(bromomethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957915
1-[3-methoxy-2-(2-phenylmethoxyethoxy)phenyl]butan-2-amine
CID 112752251
1-(chloromethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957914
1-[3-ethoxy-2-(2-methoxyethoxy)phenyl]butan-2-amine
CID 60907393
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-ethoxy-2-(4-methoxybutoxy)phenyl]butan-2-amine
CID 104648823
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide
CID 60906912
1-[3-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136601

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine (CID 61483305) is 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(OC)c1OCCOC(C)C.
What is the InChIKey of 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine?
The InChIKey is GKPAPSAYCOQHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-14(17)11-13-7-6-8-15(18-4)16(13)20-10-9-19-12(2)3/h6-8,12,14H,5,9-11,17H2,1-4H3.
What are the key properties of 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine?
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 61483305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).