2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine

C15H26NO4P — CID 86678288

IUPAC2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine
SMILESCCOP(=O)(CCCOc1ccc(CCN)cc1)OCC
InChIInChI=1S/C15H26NO4P/c1-3-19-21(17,20-4-2)13-5-12-18-15-8-6-14(7-9-15)10-11-16/h6-9H,3-5,10-13,16H2,1-2H3
InChIKeyHZYWUVPXHWUXEC-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.22
Rot. Bonds11

About 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine

2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine (PubChem CID 86678288) has the molecular formula C15H26NO4P and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine
PubChem CID86678288
Molecular FormulaC15H26NO4P
Molecular Weight315.35 g/mol
Exact Mass315.16
IUPAC Name2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine
SMILESCCOP(=O)(CCCOc1ccc(CCN)cc1)OCC
InChIInChI=1S/C15H26NO4P/c1-3-19-21(17,20-4-2)13-5-12-18-15-8-6-14(7-9-15)10-11-16/h6-9H,3-5,10-13,16H2,1-2H3
InChIKeyHZYWUVPXHWUXEC-UHFFFAOYSA-N
XLogP3.22
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
4-(6-diethoxyphosphorylhexoxy)phenol
CID 5271417
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190771
[4-(6-diethoxyphosphorylhexoxy)phenyl] acetate
CID 5271416
2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine
CID 54076890
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
5-[4-(2-aminoethyl)phenoxy]pentanamide
CID 114281504
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine (CID 86678288) is 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine is CCOP(=O)(CCCOc1ccc(CCN)cc1)OCC.
What is the InChIKey of 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine?
The InChIKey is HZYWUVPXHWUXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO4P/c1-3-19-21(17,20-4-2)13-5-12-18-15-8-6-14(7-9-15)10-11-16/h6-9H,3-5,10-13,16H2,1-2H3.
What are the key properties of 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine?
2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine has a molecular weight of 315.35 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 86678288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).