2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol

C8H18Cl2N2O2 — CID 174915514

IUPAC2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)N(CCCl)CCCl
InChIInChI=1S/C8H18Cl2N2O2/c9-1-3-11(4-2-10)12(5-7-13)6-8-14/h13-14H,1-8H2
InChIKeyASBVIYNCYJYHIU-UHFFFAOYSA-N
MW245.15 g/mol
LogP-0.03
Rot. Bonds9

About 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol

2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol (PubChem CID 174915514) has the molecular formula C8H18Cl2N2O2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol
PubChem CID174915514
Molecular FormulaC8H18Cl2N2O2
Molecular Weight245.15 g/mol
Exact Mass244.07
IUPAC Name2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)N(CCCl)CCCl
InChIInChI=1S/C8H18Cl2N2O2/c9-1-3-11(4-2-10)12(5-7-13)6-8-14/h13-14H,1-8H2
InChIKeyASBVIYNCYJYHIU-UHFFFAOYSA-N
XLogP-0.03
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol
CID 118332539
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
CID 24837985
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide
CID 175674488
2-chloroethanol;tetrahydrochloride
CID 175381229
2-chloroethanol;zirconium
CID 162223906
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
copper;bis(2-(dimethylamino)ethanol)
CID 58904293
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide
CID 107651201
4-chloro-N,N-bis(2-hydroxyethyl)butanamide
CID 63307970

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol (CID 174915514) is 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)N(CCCl)CCCl.
What is the InChIKey of 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ASBVIYNCYJYHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Cl2N2O2/c9-1-3-11(4-2-10)12(5-7-13)6-8-14/h13-14H,1-8H2.
What are the key properties of 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol?
2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol has a molecular weight of 245.15 g/mol, XLogP of -0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 174915514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).