2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol

C21H17Cl2F2NO — CID 3724836

IUPAC2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H17Cl2F2NO/c22-17-6-1-14(20(23)11-17)12-26-13-21(27,15-2-7-18(24)8-3-15)16-4-9-19(25)10-5-16/h1-11,26-27H,12-13H2
InChIKeyQMTPFDCTDDBZNJ-UHFFFAOYSA-N
MW408.28 g/mol
LogP5.30
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol

2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol (PubChem CID 3724836) has the molecular formula C21H17Cl2F2NO and a molecular weight of 408.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol
PubChem CID3724836
Molecular FormulaC21H17Cl2F2NO
Molecular Weight408.28 g/mol
Exact Mass407.07
IUPAC Name2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H17Cl2F2NO/c22-17-6-1-14(20(23)11-17)12-26-13-21(27,15-2-7-18(24)8-3-15)16-4-9-19(25)10-5-16/h1-11,26-27H,12-13H2
InChIKeyQMTPFDCTDDBZNJ-UHFFFAOYSA-N
XLogP5.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.28
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
1-N-[(2,4-dichlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222295
4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708139
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]thiourea
CID 3574054
N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664557
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 75176308
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
N-[(2,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55032016

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol (CID 3724836) is 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol is OC(CNCc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol?
The InChIKey is QMTPFDCTDDBZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F2NO/c22-17-6-1-14(20(23)11-17)12-26-13-21(27,15-2-7-18(24)8-3-15)16-4-9-19(25)10-5-16/h1-11,26-27H,12-13H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol?
2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol has a molecular weight of 408.28 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylamino]-1,1-bis(4-fluorophenyl)ethanol is sourced from PubChem (CID 3724836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).