2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol

C13H21NO2 — CID 115877304

IUPAC2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
SMILESCCOc1ccccc1CN(C)C(C)CO
InChIInChI=1S/C13H21NO2/c1-4-16-13-8-6-5-7-12(13)9-14(3)11(2)10-15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyPOOQBNFHSBKBML-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds6

About 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol

2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol (PubChem CID 115877304) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
PubChem CID115877304
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
SMILESCCOc1ccccc1CN(C)C(C)CO
InChIInChI=1S/C13H21NO2/c1-4-16-13-8-6-5-7-12(13)9-14(3)11(2)10-15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyPOOQBNFHSBKBML-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982222
2-bromo-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54876015
2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
CID 62014901
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674
2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 102848138
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 60966567
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol (CID 115877304) is 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol is CCOc1ccccc1CN(C)C(C)CO.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol?
The InChIKey is POOQBNFHSBKBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-13-8-6-5-7-12(13)9-14(3)11(2)10-15/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol?
2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115877304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).