2-[(3-methoxyphenyl)methyl-propylamino]ethanol

C13H21NO2 — CID 60692004

IUPAC2-[(3-methoxyphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-3-7-14(8-9-15)11-12-5-4-6-13(10-12)16-2/h4-6,10,15H,3,7-9,11H2,1-2H3
InChIKeyXSKXDFAMGOZADX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds7

About 2-[(3-methoxyphenyl)methyl-propylamino]ethanol

2-[(3-methoxyphenyl)methyl-propylamino]ethanol (PubChem CID 60692004) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-propylamino]ethanol
PubChem CID60692004
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(3-methoxyphenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-3-7-14(8-9-15)11-12-5-4-6-13(10-12)16-2/h4-6,10,15H,3,7-9,11H2,1-2H3
InChIKeyXSKXDFAMGOZADX-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 80679564
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
2-[(3-nitrophenyl)methyl-propylamino]ethanol
CID 30981311
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61424625
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone
CID 22569822

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-propylamino]ethanol (CID 60692004) is 2-[(3-methoxyphenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-propylamino]ethanol?
The InChIKey is XSKXDFAMGOZADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-7-14(8-9-15)11-12-5-4-6-13(10-12)16-2/h4-6,10,15H,3,7-9,11H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl-propylamino]ethanol?
2-[(3-methoxyphenyl)methyl-propylamino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 60692004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).