2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol

C15H25ClN2O — CID 106818142

IUPAC2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
SMILESCCN(CC)CCNC(CO)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H25ClN2O/c1-4-18(5-2)9-8-17-15(11-19)13-7-6-12(3)14(16)10-13/h6-7,10,15,17,19H,4-5,8-9,11H2,1-3H3
InChIKeyOGSUYNQYKREPGT-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.61
Rot. Bonds8

About 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol

2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol (PubChem CID 106818142) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
PubChem CID106818142
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
SMILESCCN(CC)CCNC(CO)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H25ClN2O/c1-4-18(5-2)9-8-17-15(11-19)13-7-6-12(3)14(16)10-13/h6-7,10,15,17,19H,4-5,8-9,11H2,1-3H3
InChIKeyOGSUYNQYKREPGT-UHFFFAOYSA-N
XLogP2.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233
2-(7-chloro-1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethylamino]ethanol
CID 61050221
2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 106818131
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 66480263
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543484

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol (CID 106818142) is 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol is CCN(CC)CCNC(CO)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol?
The InChIKey is OGSUYNQYKREPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-18(5-2)9-8-17-15(11-19)13-7-6-12(3)14(16)10-13/h6-7,10,15,17,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol?
2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol has a molecular weight of 284.83 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol is sourced from PubChem (CID 106818142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).