1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol

C12H16FNO — CID 62397151

IUPAC1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol
SMILESCC1CC1NCC(O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-8-6-11(8)14-7-12(15)9-2-4-10(13)5-3-9/h2-5,8,11-12,14-15H,6-7H2,1H3
InChIKeyZCKDHOZUNQSDTH-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.86
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol

1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol (PubChem CID 62397151) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol
PubChem CID62397151
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol
SMILESCC1CC1NCC(O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-8-6-11(8)14-7-12(15)9-2-4-10(13)5-3-9/h2-5,8,11-12,14-15H,6-7H2,1H3
InChIKeyZCKDHOZUNQSDTH-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]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

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Phenylpropanolamine
CID 10297
Ephedrine Hydrochloride
CID 65326
Cathine
CID 441457
Pseudoephedrine Hydrochloride
CID 9581
Phenylpropanolamine Hydrochloride
CID 62943
DL-Ephedrine
CID 5032
N-Methylephedrine
CID 4374
Clorprenaline
CID 2810
Methylephedrine
CID 64782
DL-Ephedrine hydrochloride
CID 8648

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol (CID 62397151) is 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol is CC1CC1NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol?
The InChIKey is ZCKDHOZUNQSDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-11(8)14-7-12(15)9-2-4-10(13)5-3-9/h2-5,8,11-12,14-15H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol?
1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol has a molecular weight of 209.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol is sourced from PubChem (CID 62397151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).