2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol

C14H21NO2 — CID 79603165

IUPAC2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol
SMILESCC(O)c1ccc(N(C)CC2CC2C)cc1O
InChIInChI=1S/C14H21NO2/c1-9-6-11(9)8-15(3)12-4-5-13(10(2)16)14(17)7-12/h4-5,7,9-11,16-17H,6,8H2,1-3H3
InChIKeyISTVAVAAFRYCQE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds4

About 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol

2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol (PubChem CID 79603165) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol
PubChem CID79603165
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol
SMILESCC(O)c1ccc(N(C)CC2CC2C)cc1O
InChIInChI=1S/C14H21NO2/c1-9-6-11(9)8-15(3)12-4-5-13(10(2)16)14(17)7-12/h4-5,7,9-11,16-17H,6,8H2,1-3H3
InChIKeyISTVAVAAFRYCQE-UHFFFAOYSA-N
XLogP2.54
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol (CID 79603165) is 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol is CC(O)c1ccc(N(C)CC2CC2C)cc1O.
What is the InChIKey of 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol?
The InChIKey is ISTVAVAAFRYCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-11(9)8-15(3)12-4-5-13(10(2)16)14(17)7-12/h4-5,7,9-11,16-17H,6,8H2,1-3H3.
What are the key properties of 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol?
2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol is sourced from PubChem (CID 79603165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).