[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine

C15H25NO3 — CID 103487057

IUPAC[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine
SMILESCCOCC(C)OCCCOc1cccc(CN)c1
InChIInChI=1S/C15H25NO3/c1-3-17-12-13(2)18-8-5-9-19-15-7-4-6-14(10-15)11-16/h4,6-7,10,13H,3,5,8-9,11-12,16H2,1-2H3
InChIKeyTVMXXEFKVFDSCS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.36
Rot. Bonds10

About [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine

[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine (PubChem CID 103487057) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine
PubChem CID103487057
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine
SMILESCCOCC(C)OCCCOc1cccc(CN)c1
InChIInChI=1S/C15H25NO3/c1-3-17-12-13(2)18-8-5-9-19-15-7-4-6-14(10-15)11-16/h4,6-7,10,13H,3,5,8-9,11-12,16H2,1-2H3
InChIKeyTVMXXEFKVFDSCS-UHFFFAOYSA-N
XLogP2.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.36
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

[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
3-[3-(1-ethoxypropan-2-yloxy)propoxy]benzonitrile
CID 103488216
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
CID 103488473
3-[2-(1-ethoxypropan-2-yloxy)ethoxy]benzenecarbothioamide
CID 103488355
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
CID 43265457
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine (CID 103487057) is [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine is CCOCC(C)OCCCOc1cccc(CN)c1.
What is the InChIKey of [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine?
The InChIKey is TVMXXEFKVFDSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-17-12-13(2)18-8-5-9-19-15-7-4-6-14(10-15)11-16/h4,6-7,10,13H,3,5,8-9,11-12,16H2,1-2H3.
What are the key properties of [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine?
[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 103487057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).