2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol

C17H20ClNO3 — CID 111467324

IUPAC2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
SMILESCOc1ccc(CNCc2ccccc2OCCO)cc1Cl
InChIInChI=1S/C17H20ClNO3/c1-21-17-7-6-13(10-15(17)18)11-19-12-14-4-2-3-5-16(14)22-9-8-20/h2-7,10,19-20H,8-9,11-12H2,1H3
InChIKeyRQTIXGIJYUJAHC-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.01
Rot. Bonds8

About 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol

2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol (PubChem CID 111467324) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
PubChem CID111467324
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
SMILESCOc1ccc(CNCc2ccccc2OCCO)cc1Cl
InChIInChI=1S/C17H20ClNO3/c1-21-17-7-6-13(10-15(17)18)11-19-12-14-4-2-3-5-16(14)22-9-8-20/h2-7,10,19-20H,8-9,11-12H2,1H3
InChIKeyRQTIXGIJYUJAHC-UHFFFAOYSA-N
XLogP3.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 111466497
2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
N-[(3-chloro-4-methoxyphenyl)methyl]-3-phenoxypropan-1-amine
CID 65021861
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol (CID 111467324) is 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol is COc1ccc(CNCc2ccccc2OCCO)cc1Cl.
What is the InChIKey of 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is RQTIXGIJYUJAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-21-17-7-6-13(10-15(17)18)11-19-12-14-4-2-3-5-16(14)22-9-8-20/h2-7,10,19-20H,8-9,11-12H2,1H3.
What are the key properties of 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol?
2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 321.80 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 111467324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).