2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol

C17H18Cl2FNO2 — CID 66788807

IUPAC2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol
SMILESCOc1cc(CN(C)C(CO)c2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C17H18Cl2FNO2/c1-21(9-11-3-6-15(20)17(7-11)23-2)16(10-22)12-4-5-13(18)14(19)8-12/h3-8,16,22H,9-10H2,1-2H3
InChIKeyVNJJODNOKPHOAV-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.31
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol

2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol (PubChem CID 66788807) has the molecular formula C17H18Cl2FNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol
PubChem CID66788807
Molecular FormulaC17H18Cl2FNO2
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol
SMILESCOc1cc(CN(C)C(CO)c2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C17H18Cl2FNO2/c1-21(9-11-3-6-15(20)17(7-11)23-2)16(10-22)12-4-5-13(18)14(19)8-12/h3-8,16,22H,9-10H2,1-2H3
InChIKeyVNJJODNOKPHOAV-UHFFFAOYSA-N
XLogP4.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 125443485
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 81146872
1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol
CID 173340486
3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83928505
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81285176
2-[(3,4-difluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137602
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 71989008

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol (CID 66788807) is 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol is COc1cc(CN(C)C(CO)c2ccc(Cl)c(Cl)c2)ccc1F.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol?
The InChIKey is VNJJODNOKPHOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FNO2/c1-21(9-11-3-6-15(20)17(7-11)23-2)16(10-22)12-4-5-13(18)14(19)8-12/h3-8,16,22H,9-10H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol?
2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol has a molecular weight of 358.24 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 66788807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).