2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine

C18H22ClNO — CID 11197455

IUPAC2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccccc1CCc1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-20(2)12-13-21-18-9-4-3-7-16(18)11-10-15-6-5-8-17(19)14-15/h3-9,14H,10-13H2,1-2H3
InChIKeyRYIQCFORKJJYCK-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.07
Rot. Bonds7

About 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine

2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 11197455) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
PubChem CID11197455
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccccc1CCc1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-20(2)12-13-21-18-9-4-3-7-16(18)11-10-15-6-5-8-17(19)14-15/h3-9,14H,10-13H2,1-2H3
InChIKeyRYIQCFORKJJYCK-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylguanidine
CID 111358130
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
3-[2-[2-(dimethylamino)ethoxy]phenyl]propanoyl chloride
CID 39260422
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
2-hydroxybenzoic acid;3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 134285054
3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-[2-[2-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenyl]propanoic acid
CID 11295930
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111395713
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine (CID 11197455) is 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccccc1CCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is RYIQCFORKJJYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-20(2)12-13-21-18-9-4-3-7-16(18)11-10-15-6-5-8-17(19)14-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine?
2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 11197455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).