N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine

C15H23NO — CID 46889757

IUPACN,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine
SMILESCN(C)CCCCc1ccc(C2COC2)cc1
InChIInChI=1S/C15H23NO/c1-16(2)10-4-3-5-13-6-8-14(9-7-13)15-11-17-12-15/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyWIIJZYFTOOLEKW-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.68
Rot. Bonds6

About N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine

N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine (PubChem CID 46889757) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine
PubChem CID46889757
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine
SMILESCN(C)CCCCc1ccc(C2COC2)cc1
InChIInChI=1S/C15H23NO/c1-16(2)10-4-3-5-13-6-8-14(9-7-13)15-11-17-12-15/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyWIIJZYFTOOLEKW-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine?
The IUPAC name of N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine (CID 46889757) is N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine is CN(C)CCCCc1ccc(C2COC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine?
The InChIKey is WIIJZYFTOOLEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16(2)10-4-3-5-13-6-8-14(9-7-13)15-11-17-12-15/h6-9,15H,3-5,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine?
N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(oxetan-3-yl)phenyl]butan-1-amine is sourced from PubChem (CID 46889757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).