1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol

C18H20Cl2F2N2O — CID 45483849

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol
SMILESCC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C18H20Cl2F2N2O/c1-18(2,8-10-3-12(21)7-13(22)4-10)24-9-16(25)11-5-14(19)17(23)15(20)6-11/h3-7,16,24-25H,8-9,23H2,1-2H3
InChIKeyHFMVPHZRVZPYOC-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.50
Rot. Bonds6

About 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol

1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol (PubChem CID 45483849) has the molecular formula C18H20Cl2F2N2O and a molecular weight of 389.27 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol
PubChem CID45483849
Molecular FormulaC18H20Cl2F2N2O
Molecular Weight389.27 g/mol
Exact Mass388.09
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol
SMILESCC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C18H20Cl2F2N2O/c1-18(2,8-10-3-12(21)7-13(22)4-10)24-9-16(25)11-5-14(19)17(23)15(20)6-11/h3-7,16,24-25H,8-9,23H2,1-2H3
InChIKeyHFMVPHZRVZPYOC-UHFFFAOYSA-N
XLogP4.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol (CID 45483849) is 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol is CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol?
The InChIKey is HFMVPHZRVZPYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2F2N2O/c1-18(2,8-10-3-12(21)7-13(22)4-10)24-9-16(25)11-5-14(19)17(23)15(20)6-11/h3-7,16,24-25H,8-9,23H2,1-2H3.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol?
1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol has a molecular weight of 389.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-2-[[1-(3,5-difluorophenyl)-2-methylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 45483849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).