N,N-dimethyl-2-(3-phenylphenoxy)ethanamine

C16H19NO — CID 14105422

IUPACN,N-dimethyl-2-(3-phenylphenoxy)ethanamine
SMILESCN(C)CCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-17(2)11-12-18-16-10-6-9-15(13-16)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyXYIFLKDAKDHIML-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.29
Rot. Bonds5

About N,N-dimethyl-2-(3-phenylphenoxy)ethanamine

N,N-dimethyl-2-(3-phenylphenoxy)ethanamine (PubChem CID 14105422) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-phenylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-phenylphenoxy)ethanamine
PubChem CID14105422
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN,N-dimethyl-2-(3-phenylphenoxy)ethanamine
SMILESCN(C)CCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-17(2)11-12-18-16-10-6-9-15(13-16)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyXYIFLKDAKDHIML-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
N,N-dimethyl-2-[3-(2-methyloxazet-4-yl)phenoxy]ethanamine
CID 156795758
2-chloro-5-[3-[2-(dimethylamino)ethoxy]phenyl]-N-phenylaniline;hydrochloride
CID 69326352
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
CID 59086251
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
1-(methylsulfanylmethoxy)-3-phenylbenzene
CID 56983250
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-phenylphenoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-phenylphenoxy)ethanamine (CID 14105422) is N,N-dimethyl-2-(3-phenylphenoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-phenylphenoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-phenylphenoxy)ethanamine is CN(C)CCOc1cccc(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-2-(3-phenylphenoxy)ethanamine?
The InChIKey is XYIFLKDAKDHIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-17(2)11-12-18-16-10-6-9-15(13-16)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-phenylphenoxy)ethanamine?
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-phenylphenoxy)ethanamine is sourced from PubChem (CID 14105422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).