[4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine

C15H23NO3 — CID 61286758

IUPAC[4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine
SMILESNCc1ccc(OCCCOC2CCOCC2)cc1
InChIInChI=1S/C15H23NO3/c16-12-13-2-4-14(5-3-13)18-8-1-9-19-15-6-10-17-11-7-15/h2-5,15H,1,6-12,16H2
InChIKeyHPEAYMOEYAWYPA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.11
Rot. Bonds7

About [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine

[4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine (PubChem CID 61286758) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine
PubChem CID61286758
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine
SMILESNCc1ccc(OCCCOC2CCOCC2)cc1
InChIInChI=1S/C15H23NO3/c16-12-13-2-4-14(5-3-13)18-8-1-9-19-15-6-10-17-11-7-15/h2-5,15H,1,6-12,16H2
InChIKeyHPEAYMOEYAWYPA-UHFFFAOYSA-N
XLogP2.11
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.11
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

[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
CID 61069915
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956
3-[3-(oxan-4-yloxy)propoxy]benzoic acid
CID 63073125
4-[2-(oxan-4-yloxy)ethyl]aniline
CID 61286553
[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
CID 106200284
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
(4-decoxyphenyl)methanamine
CID 55187501
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
4-[2-(3-bromophenoxy)ethoxy]oxane
CID 54970855
4-[2-(3-chlorophenoxy)ethoxy]oxane
CID 172730478
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769

Frequently Asked Questions

What is the IUPAC name of [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine (CID 61286758) is [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine is NCc1ccc(OCCCOC2CCOCC2)cc1.
What is the InChIKey of [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine?
The InChIKey is HPEAYMOEYAWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c16-12-13-2-4-14(5-3-13)18-8-1-9-19-15-6-10-17-11-7-15/h2-5,15H,1,6-12,16H2.
What are the key properties of [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine?
[4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(oxan-4-yloxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 61286758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).