2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol

C13H21NO2 — CID 170866152

IUPAC2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
SMILESCN(C)CCCc1cccc(OCCO)c1
InChIInChI=1S/C13H21NO2/c1-14(2)8-4-6-12-5-3-7-13(11-12)16-10-9-15/h3,5,7,11,15H,4,6,8-10H2,1-2H3
InChIKeyHUHHIIKMVMATPY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.55
Rot. Bonds7

About 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol

2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol (PubChem CID 170866152) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
PubChem CID170866152
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
SMILESCN(C)CCCc1cccc(OCCO)c1
InChIInChI=1S/C13H21NO2/c1-14(2)8-4-6-12-5-3-7-13(11-12)16-10-9-15/h3,5,7,11,15H,4,6,8-10H2,1-2H3
InChIKeyHUHHIIKMVMATPY-UHFFFAOYSA-N
XLogP1.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170866457
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
2-(3-octoxyphenyl)ethanol
CID 141227544
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol (CID 170866152) is 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol is CN(C)CCCc1cccc(OCCO)c1.
What is the InChIKey of 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol?
The InChIKey is HUHHIIKMVMATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(2)8-4-6-12-5-3-7-13(11-12)16-10-9-15/h3,5,7,11,15H,4,6,8-10H2,1-2H3.
What are the key properties of 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol?
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol is sourced from PubChem (CID 170866152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).