2-[4-(3-propylazetidin-1-yl)phenyl]ethanol

C14H21NO — CID 104549222

IUPAC2-[4-(3-propylazetidin-1-yl)phenyl]ethanol
SMILESCCCC1CN(c2ccc(CCO)cc2)C1
InChIInChI=1S/C14H21NO/c1-2-3-13-10-15(11-13)14-6-4-12(5-7-14)8-9-16/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyHQXHBMNPXSGFOV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.46
Rot. Bonds5

About 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol

2-[4-(3-propylazetidin-1-yl)phenyl]ethanol (PubChem CID 104549222) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-propylazetidin-1-yl)phenyl]ethanol
PubChem CID104549222
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[4-(3-propylazetidin-1-yl)phenyl]ethanol
SMILESCCCC1CN(c2ccc(CCO)cc2)C1
InChIInChI=1S/C14H21NO/c1-2-3-13-10-15(11-13)14-6-4-12(5-7-14)8-9-16/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyHQXHBMNPXSGFOV-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913306
2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid
CID 79695614
2-bromo-5-(3-propylazetidin-1-yl)aniline
CID 79767172
1-(4-bromo-3-iodophenyl)-3-propylazetidine
CID 130498907
2-methyl-4-(3-propylazetidin-1-yl)aniline
CID 79689114
2-fluoro-5-(3-propylazetidin-1-yl)aniline
CID 79677432
3-butyl-1-(4-propan-2-ylphenyl)azetidine
CID 178164726
2-[4-(3-ethylazetidin-1-yl)phenyl]acetic acid
CID 79687346
1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine
CID 107575237
4-(4-propylpiperidin-1-yl)phenol
CID 165358736
2-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]ethanol
CID 104549231
4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
CID 117340746

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol (CID 104549222) is 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol is CCCC1CN(c2ccc(CCO)cc2)C1.
What is the InChIKey of 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol?
The InChIKey is HQXHBMNPXSGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-13-10-15(11-13)14-6-4-12(5-7-14)8-9-16/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol?
2-[4-(3-propylazetidin-1-yl)phenyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propylazetidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 104549222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).