(2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol

C8H18ClNO3 — CID 15339203

IUPAC(2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol
SMILESC[C@@H](O)[C@H](N)COCCOCCCl
InChIInChI=1S/C8H18ClNO3/c1-7(11)8(10)6-13-5-4-12-3-2-9/h7-8,11H,2-6,10H2,1H3/t7-,8-/m1/s1
InChIKeyOSJDTJMBRKNWBK-HTQZYQBOSA-N
MW211.69 g/mol
LogP-0.03
Rot. Bonds8

About (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol

(2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol (PubChem CID 15339203) has the molecular formula C8H18ClNO3 and a molecular weight of 211.69 g/mol. Its IUPAC name is (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol
PubChem CID15339203
Molecular FormulaC8H18ClNO3
Molecular Weight211.69 g/mol
Exact Mass211.10
IUPAC Name(2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol
SMILESC[C@@H](O)[C@H](N)COCCOCCCl
InChIInChI=1S/C8H18ClNO3/c1-7(11)8(10)6-13-5-4-12-3-2-9/h7-8,11H,2-6,10H2,1H3/t7-,8-/m1/s1
InChIKeyOSJDTJMBRKNWBK-HTQZYQBOSA-N
XLogP-0.03
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol
CID 175056400
(2R)-1-[2-[2-[(2R)-2-amino-3-methylbutoxy]ethoxy]ethoxy]-3-methylbutan-2-amine
CID 101253534
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
2-chloro-1-(2-chloroethoxy)propane
CID 3392808
1,2-bis(2-chloroethoxy)propane
CID 154131394
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
CID 139925927
1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane
CID 4684876
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
2-(2-chloroethoxy)ethyl propanoate
CID 5092973
1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
CID 144781174

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol?
The IUPAC name of (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol (CID 15339203) is (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol is C[C@@H](O)[C@H](N)COCCOCCCl.
What is the InChIKey of (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol?
The InChIKey is OSJDTJMBRKNWBK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18ClNO3/c1-7(11)8(10)6-13-5-4-12-3-2-9/h7-8,11H,2-6,10H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol?
(2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol has a molecular weight of 211.69 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol is sourced from PubChem (CID 15339203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).