3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine

C13H22N2O — CID 170879208

IUPAC3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
SMILESCN(C)CCOc1ccccc1CCCN
InChIInChI=1S/C13H22N2O/c1-15(2)10-11-16-13-8-4-3-6-12(13)7-5-9-14/h3-4,6,8H,5,7,9-11,14H2,1-2H3
InChIKeyPBTRKZYOWGXYCG-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.52
Rot. Bonds7

About 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine

3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine (PubChem CID 170879208) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
PubChem CID170879208
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
SMILESCN(C)CCOc1ccccc1CCCN
InChIInChI=1S/C13H22N2O/c1-15(2)10-11-16-13-8-4-3-6-12(13)7-5-9-14/h3-4,6,8H,5,7,9-11,14H2,1-2H3
InChIKeyPBTRKZYOWGXYCG-UHFFFAOYSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
3-[2-[2-(dimethylamino)ethoxy]phenyl]propanoyl chloride
CID 39260422
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464
2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 11197455

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine (CID 170879208) is 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine is CN(C)CCOc1ccccc1CCCN.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine?
The InChIKey is PBTRKZYOWGXYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(2)10-11-16-13-8-4-3-6-12(13)7-5-9-14/h3-4,6,8H,5,7,9-11,14H2,1-2H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine?
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine is sourced from PubChem (CID 170879208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).