2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine

C11H18NO2P — CID 54076890

IUPAC2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine
SMILESCP(C)(=O)COc1ccc(CCN)cc1
InChIInChI=1S/C11H18NO2P/c1-15(2,13)9-14-11-5-3-10(4-6-11)7-8-12/h3-6H,7-9,12H2,1-2H3
InChIKeyMKIKIYVRLKIGPZ-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.15
Rot. Bonds5

About 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine

2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine (PubChem CID 54076890) has the molecular formula C11H18NO2P and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine
PubChem CID54076890
Molecular FormulaC11H18NO2P
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine
SMILESCP(C)(=O)COc1ccc(CCN)cc1
InChIInChI=1S/C11H18NO2P/c1-15(2,13)9-14-11-5-3-10(4-6-11)7-8-12/h3-6H,7-9,12H2,1-2H3
InChIKeyMKIKIYVRLKIGPZ-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine
CID 86678288
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
4-(dimethylphosphorylmethoxy)pyridine
CID 15272728
2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine
CID 81329447
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
2-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190771
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine (CID 54076890) is 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine is CP(C)(=O)COc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine?
The InChIKey is MKIKIYVRLKIGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2P/c1-15(2,13)9-14-11-5-3-10(4-6-11)7-8-12/h3-6H,7-9,12H2,1-2H3.
What are the key properties of 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine?
2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine has a molecular weight of 227.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 54076890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).