4-[2-(oxan-4-yl)phenyl]butan-1-amine

C15H23NO — CID 117339355

IUPAC4-[2-(oxan-4-yl)phenyl]butan-1-amine
SMILESNCCCCc1ccccc1C1CCOCC1
InChIInChI=1S/C15H23NO/c16-10-4-3-6-13-5-1-2-7-15(13)14-8-11-17-12-9-14/h1-2,5,7,14H,3-4,6,8-12,16H2
InChIKeyXYSGNHYGUPYPRJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.86
Rot. Bonds5

About 4-[2-(oxan-4-yl)phenyl]butan-1-amine

4-[2-(oxan-4-yl)phenyl]butan-1-amine (PubChem CID 117339355) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[2-(oxan-4-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(oxan-4-yl)phenyl]butan-1-amine
PubChem CID117339355
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[2-(oxan-4-yl)phenyl]butan-1-amine
SMILESNCCCCc1ccccc1C1CCOCC1
InChIInChI=1S/C15H23NO/c16-10-4-3-6-13-5-1-2-7-15(13)14-8-11-17-12-9-14/h1-2,5,7,14H,3-4,6,8-12,16H2
InChIKeyXYSGNHYGUPYPRJ-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(thian-4-yl)phenyl]propan-1-amine
CID 117343756
3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine
CID 117335183
N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine
CID 83833008
2-(2-cycloheptylphenyl)ethanamine
CID 83836329
1-cyclopropyl-2-hexylbenzene
CID 172995295
2-[2-(oxan-4-yl)phenoxy]ethanamine
CID 115032722
3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one
CID 115038495
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
1-cyclohexyl-2-heptylbenzene
CID 154399814
4-[4-(oxolan-3-yl)phenyl]butan-1-amine
CID 117313253
2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
CID 117403099
2-[2-(thiolan-3-yl)phenyl]ethanamine
CID 84779898

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-4-yl)phenyl]butan-1-amine?
The IUPAC name of 4-[2-(oxan-4-yl)phenyl]butan-1-amine (CID 117339355) is 4-[2-(oxan-4-yl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[2-(oxan-4-yl)phenyl]butan-1-amine?
The canonical SMILES for 4-[2-(oxan-4-yl)phenyl]butan-1-amine is NCCCCc1ccccc1C1CCOCC1.
What is the InChIKey of 4-[2-(oxan-4-yl)phenyl]butan-1-amine?
The InChIKey is XYSGNHYGUPYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c16-10-4-3-6-13-5-1-2-7-15(13)14-8-11-17-12-9-14/h1-2,5,7,14H,3-4,6,8-12,16H2.
What are the key properties of 4-[2-(oxan-4-yl)phenyl]butan-1-amine?
4-[2-(oxan-4-yl)phenyl]butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-4-yl)phenyl]butan-1-amine is sourced from PubChem (CID 117339355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).