2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid

C11H18NO3P — CID 67256217

IUPAC2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid
SMILESCCP(=O)(O)CCc1ccc(N)c(OC)c1
InChIInChI=1S/C11H18NO3P/c1-3-16(13,14)7-6-9-4-5-10(12)11(8-9)15-2/h4-5,8H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyDWSLBYBWDHAURO-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.11
Rot. Bonds5

About 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid

2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid (PubChem CID 67256217) has the molecular formula C11H18NO3P and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid.

Molecular Properties

Compound Name2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid
PubChem CID67256217
Molecular FormulaC11H18NO3P
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid
SMILESCCP(=O)(O)CCc1ccc(N)c(OC)c1
InChIInChI=1S/C11H18NO3P/c1-3-16(13,14)7-6-9-4-5-10(12)11(8-9)15-2/h4-5,8H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyDWSLBYBWDHAURO-UHFFFAOYSA-N
XLogP2.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid
CID 67480322
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
4-hexyl-2-methoxyaniline
CID 70551686
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
(4-amino-3-methoxyphenyl)methanesulfinic acid
CID 89243186
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
CID 90251753
CID 90251753
3-(4-amino-3-methoxyphenyl)propoxy-ethyl-oxophosphanium
CID 123475670
(4-amino-3-methoxyphenyl)methanesulfinate
CID 89243185
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
CID 22753068

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid?
The IUPAC name of 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid (CID 67256217) is 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid.
What is the SMILES notation for 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid?
The canonical SMILES for 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid is CCP(=O)(O)CCc1ccc(N)c(OC)c1.
What is the InChIKey of 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid?
The InChIKey is DWSLBYBWDHAURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3P/c1-3-16(13,14)7-6-9-4-5-10(12)11(8-9)15-2/h4-5,8H,3,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid?
2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid has a molecular weight of 243.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid is sourced from PubChem (CID 67256217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).