[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol

C16H18ClNO3 — CID 107742711

IUPAC[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OC(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO3/c1-20-15-7-11(10-19)5-6-14(15)21-16(9-18)12-3-2-4-13(17)8-12/h2-8,16,19H,9-10,18H2,1H3
InChIKeyHWXXAMOPOMLEKL-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.92
Rot. Bonds6

About [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol

[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol (PubChem CID 107742711) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
PubChem CID107742711
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OC(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO3/c1-20-15-7-11(10-19)5-6-14(15)21-16(9-18)12-3-2-4-13(17)8-12/h2-8,16,19H,9-10,18H2,1H3
InChIKeyHWXXAMOPOMLEKL-UHFFFAOYSA-N
XLogP2.92
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-amino-1-thiophen-3-ylethoxy)-3-methoxyphenyl]methanol
CID 107742689
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(4-ethyl-2-methoxyphenoxy)-2-(4-methylphenyl)ethanamine
CID 107664014
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol (CID 107742711) is [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol is COc1cc(CO)ccc1OC(CN)c1cccc(Cl)c1.
What is the InChIKey of [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol?
The InChIKey is HWXXAMOPOMLEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-20-15-7-11(10-19)5-6-14(15)21-16(9-18)12-3-2-4-13(17)8-12/h2-8,16,19H,9-10,18H2,1H3.
What are the key properties of [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol?
[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol has a molecular weight of 307.78 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 107742711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).