2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol

C16H17Cl2NO4 — CID 46307275

IUPAC2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol
SMILESCOc1cc(CO)cc(N)c1OCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO4/c1-22-15-5-9(7-20)4-13(19)16(15)23-8-14(21)10-2-3-11(17)12(18)6-10/h2-6,14,20-21H,7-8,19H2,1H3
InChIKeyDFHGBBUUWLKDCI-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.19
Rot. Bonds6

About 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol

2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol (PubChem CID 46307275) has the molecular formula C16H17Cl2NO4 and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol
PubChem CID46307275
Molecular FormulaC16H17Cl2NO4
Molecular Weight358.22 g/mol
Exact Mass357.05
IUPAC Name2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol
SMILESCOc1cc(CO)cc(N)c1OCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO4/c1-22-15-5-9(7-20)4-13(19)16(15)23-8-14(21)10-2-3-11(17)12(18)6-10/h2-6,14,20-21H,7-8,19H2,1H3
InChIKeyDFHGBBUUWLKDCI-UHFFFAOYSA-N
XLogP3.19
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol
CID 46307299
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol
CID 46307294
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 46307287
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 60885645
1-(3,4-dichlorophenyl)-2-[4-[(1R,3S)-3-[4-[2-(3,4-dichlorophenyl)-2-hydroxyethoxy]-3-methoxyphenyl]cyclopentyl]-2-methoxyphenoxy]ethanol
CID 71488819
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
CID 114459550
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol (CID 46307275) is 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol is COc1cc(CO)cc(N)c1OCC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is DFHGBBUUWLKDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO4/c1-22-15-5-9(7-20)4-13(19)16(15)23-8-14(21)10-2-3-11(17)12(18)6-10/h2-6,14,20-21H,7-8,19H2,1H3.
What are the key properties of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol?
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 358.22 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 46307275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).