2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol

C15H23BrF2N2O — CID 107486486

IUPAC2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCNC(CCN(CCO)CC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrF2N2O/c1-2-19-14(12-3-5-13(16)6-4-12)7-8-20(9-10-21)11-15(17)18/h3-6,14-15,19,21H,2,7-11H2,1H3
InChIKeyDQQXJTCBSCRPGG-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.05
Rot. Bonds10

About 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol

2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486486) has the molecular formula C15H23BrF2N2O and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486486
Molecular FormulaC15H23BrF2N2O
Molecular Weight365.26 g/mol
Exact Mass364.10
IUPAC Name2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCNC(CCN(CCO)CC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrF2N2O/c1-2-19-14(12-3-5-13(16)6-4-12)7-8-20(9-10-21)11-15(17)18/h3-6,14-15,19,21H,2,7-11H2,1H3
InChIKeyDQQXJTCBSCRPGG-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 79481550
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
CID 102871015
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 107486499
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493312

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol (CID 107486486) is 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol is CCNC(CCN(CCO)CC(F)F)c1ccc(Br)cc1.
What is the InChIKey of 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is DQQXJTCBSCRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrF2N2O/c1-2-19-14(12-3-5-13(16)6-4-12)7-8-20(9-10-21)11-15(17)18/h3-6,14-15,19,21H,2,7-11H2,1H3.
What are the key properties of 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 365.26 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).