4-[(1R)-1-methoxybutyl]aniline

C11H17NO — CID 124500573

IUPAC4-[(1R)-1-methoxybutyl]aniline
SMILESCCC[C@@H](OC)c1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-3-4-11(13-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4,12H2,1-2H3/t11-/m1/s1
InChIKeyKJEITHPTHUICBW-LLVKDONJSA-N
MW179.26 g/mol
LogP2.76
Rot. Bonds4

About 4-[(1R)-1-methoxybutyl]aniline

4-[(1R)-1-methoxybutyl]aniline (PubChem CID 124500573) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(1R)-1-methoxybutyl]aniline.

Molecular Properties

Compound Name4-[(1R)-1-methoxybutyl]aniline
PubChem CID124500573
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(1R)-1-methoxybutyl]aniline
SMILESCCC[C@@H](OC)c1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-3-4-11(13-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4,12H2,1-2H3/t11-/m1/s1
InChIKeyKJEITHPTHUICBW-LLVKDONJSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-methoxybutyl]aniline?
The IUPAC name of 4-[(1R)-1-methoxybutyl]aniline (CID 124500573) is 4-[(1R)-1-methoxybutyl]aniline.
What is the SMILES notation for 4-[(1R)-1-methoxybutyl]aniline?
The canonical SMILES for 4-[(1R)-1-methoxybutyl]aniline is CCC[C@@H](OC)c1ccc(N)cc1.
What is the InChIKey of 4-[(1R)-1-methoxybutyl]aniline?
The InChIKey is KJEITHPTHUICBW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-11(13-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4,12H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-methoxybutyl]aniline?
4-[(1R)-1-methoxybutyl]aniline has a molecular weight of 179.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-methoxybutyl]aniline is sourced from PubChem (CID 124500573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).