2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol

C16H18ClNO2 — CID 111457786

IUPAC2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO2/c17-15-7-5-13(6-8-15)11-18-12-14-3-1-2-4-16(14)20-10-9-19/h1-8,18-19H,9-12H2
InChIKeyQAUWEOODICEOGI-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.00
Rot. Bonds7

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

2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol (PubChem CID 111457786) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
PubChem CID111457786
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO2/c17-15-7-5-13(6-8-15)11-18-12-14-3-1-2-4-16(14)20-10-9-19/h1-8,18-19H,9-12H2
InChIKeyQAUWEOODICEOGI-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 111467324
2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457847
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718122
2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
2-[3-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214027
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-cyclopropylmethanamine
CID 57269923

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol (CID 111457786) is 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol is OCCOc1ccccc1CNCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is QAUWEOODICEOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-15-7-5-13(6-8-15)11-18-12-14-3-1-2-4-16(14)20-10-9-19/h1-8,18-19H,9-12H2.
What are the key properties of 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol?
2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 291.78 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 111457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).