2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol

C16H17Cl2NO2 — CID 111457819

IUPAC2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO2/c17-14-6-5-12(15(18)9-14)10-19-11-13-3-1-2-4-16(13)21-8-7-20/h1-6,9,19-20H,7-8,10-11H2
InChIKeyXYGIRKYIFRDBHV-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.65
Rot. Bonds7

About 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol

2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol (PubChem CID 111457819) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
PubChem CID111457819
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO2/c17-14-6-5-12(15(18)9-14)10-19-11-13-3-1-2-4-16(13)21-8-7-20/h1-6,9,19-20H,7-8,10-11H2
InChIKeyXYGIRKYIFRDBHV-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 111467324
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457847
2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155291
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724078

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol (CID 111457819) is 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol is OCCOc1ccccc1CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is XYGIRKYIFRDBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c17-14-6-5-12(15(18)9-14)10-19-11-13-3-1-2-4-16(13)21-8-7-20/h1-6,9,19-20H,7-8,10-11H2.
What are the key properties of 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol?
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 326.22 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 111457819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).