3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol

C14H21NO2 — CID 56795293

IUPAC3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
SMILESCCOCCN(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C14H21NO2/c1-2-17-9-8-15(13-6-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13,16H,2,6-9,11H2,1H3
InChIKeyASWBNYHJSNZKAI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds7

About 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol

3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol (PubChem CID 56795293) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
PubChem CID56795293
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
SMILESCCOCCN(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C14H21NO2/c1-2-17-9-8-15(13-6-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13,16H,2,6-9,11H2,1H3
InChIKeyASWBNYHJSNZKAI-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
CID 103801005
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
CID 111434933
N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
CID 110929697
3-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 82982762
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
3-[[cyclopropyl-[3-(2-methylimidazol-1-yl)propyl]amino]methyl]phenol
CID 91838680
3-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]propanethioamide
CID 54997340
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol?
The IUPAC name of 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol (CID 56795293) is 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol?
The canonical SMILES for 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol is CCOCCN(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol?
The InChIKey is ASWBNYHJSNZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-9-8-15(13-6-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13,16H,2,6-9,11H2,1H3.
What are the key properties of 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol?
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol is sourced from PubChem (CID 56795293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).