(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol

C12H16FNO — CID 63370674

IUPAC(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)C2CC2)c(F)c1
InChIInChI=1S/C12H16FNO/c1-8(15)9-3-6-12(11(13)7-9)14(2)10-4-5-10/h3,6-8,10,15H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyJSYBBSSCBQQNOV-MRVPVSSYSA-N
MW209.26 g/mol
LogP2.48
Rot. Bonds3

About (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol

(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol (PubChem CID 63370674) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
PubChem CID63370674
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)C2CC2)c(F)c1
InChIInChI=1S/C12H16FNO/c1-8(15)9-3-6-12(11(13)7-9)14(2)10-4-5-10/h3,6-8,10,15H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyJSYBBSSCBQQNOV-MRVPVSSYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]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

(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
CID 64521778
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052
(1S)-1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 78939739
(1S)-1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanol
CID 78940866
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63682288
(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63540480
N-(2-fluoro-4-propan-2-ylphenyl)-N-methyloxolan-3-amine
CID 139410309
(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370691
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol (CID 63370674) is (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol is C[C@@H](O)c1ccc(N(C)C2CC2)c(F)c1.
What is the InChIKey of (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is JSYBBSSCBQQNOV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(15)9-3-6-12(11(13)7-9)14(2)10-4-5-10/h3,6-8,10,15H,4-5H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol?
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 209.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 63370674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).