2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate

C19H22ClNO3 — CID 6453495

IUPAC2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
SMILESCN(CCCl)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-21(13-12-20)14-15-24-18(22)19(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,23H,12-15H2,1H3
InChIKeyQMMKHOXGBKDMKE-UHFFFAOYSA-N
MW347.84 g/mol
LogP2.64
Rot. Bonds8

About 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate

2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 6453495) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
PubChem CID6453495
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
SMILESCN(CCCl)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-21(13-12-20)14-15-24-18(22)19(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,23H,12-15H2,1H3
InChIKeyQMMKHOXGBKDMKE-UHFFFAOYSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
tert-butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium
CID 3096626
2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 138397138
2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride
CID 6451501
2-[2-(2-bromo-2-methylpropanoyl)oxyethyl-methylamino]ethyl 2-bromo-2-methylpropanoate
CID 102025529
CID 6328820
CID 6328820
3-(4-methyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
CID 134109617
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
CID 4841
2-(diethylamino)ethyl 2-hydroxy-2-(2-methylsulfanylphenyl)-2-phenylacetate
CID 117067116
chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate (CID 6453495) is 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate is CN(CCCl)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is QMMKHOXGBKDMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-21(13-12-20)14-15-24-18(22)19(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,23H,12-15H2,1H3.
What are the key properties of 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate?
2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 347.84 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 6453495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).