(2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine

C5H14ClNO3P+ — CID 15590424

IUPAC(2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine
SMILESCC(C)N.O=[P+](O)C(O)CCl
InChIInChI=1S/C3H9N.C2H4ClO3P/c1-3(2)4;3-1-2(4)7(5)6/h3H,4H2,1-2H3;2,4H,1H2/p+1
InChIKeyWFDOTDDOHYBKHW-UHFFFAOYSA-O
MW202.60 g/mol
LogP0.63
Rot. Bonds2

About (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine

(2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine (PubChem CID 15590424) has the molecular formula C5H14ClNO3P+ and a molecular weight of 202.60 g/mol. Its IUPAC name is (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine.

Molecular Properties

Compound Name(2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine
PubChem CID15590424
Molecular FormulaC5H14ClNO3P+
Molecular Weight202.60 g/mol
Exact Mass202.04
IUPAC Name(2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine
SMILESCC(C)N.O=[P+](O)C(O)CCl
InChIInChI=1S/C3H9N.C2H4ClO3P/c1-3(2)4;3-1-2(4)7(5)6/h3H,4H2,1-2H3;2,4H,1H2/p+1
InChIKeyWFDOTDDOHYBKHW-UHFFFAOYSA-O
XLogP0.63
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;ethanamine
CID 15590427
(2R,3S)-3-amino-1-chlorobutan-2-ol
CID 154700575
[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
CID 87190304
(3S)-3-amino-1-chlorobutan-2-ol;hydrochloride
CID 55298277
1-aminoethoxy-hydroxy-oxophosphanium;butane
CID 87487815
propan-2-amine;propane;propan-2-ol
CID 161404449
1-aminoethoxy-hydroxy-oxophosphanium;ethoxyethane
CID 87721898
beryllium;hydride;propan-2-amine
CID 174791883
(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium
CID 14904540
1-chloro-2-methylpropane;methanol
CID 88619830
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
4-chloro-3-methylbutan-2-ol
CID 13204328

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine?
The IUPAC name of (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine (CID 15590424) is (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine.
What is the SMILES notation for (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine?
The canonical SMILES for (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine is CC(C)N.O=[P+](O)C(O)CCl.
What is the InChIKey of (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine?
The InChIKey is WFDOTDDOHYBKHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.C2H4ClO3P/c1-3(2)4;3-1-2(4)7(5)6/h3H,4H2,1-2H3;2,4H,1H2/p+1.
What are the key properties of (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine?
(2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine has a molecular weight of 202.60 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-hydroxyethyl)-hydroxy-oxophosphanium;propan-2-amine is sourced from PubChem (CID 15590424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).