2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol

C15H19FN2O — CID 156709538

IUPAC2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol
SMILESCC(F)(CO)CN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C15H19FN2O/c1-15(16,10-19)9-18-7-6-12-11-4-2-3-5-13(11)17-14(12)8-18/h2-5,17,19H,6-10H2,1H3
InChIKeyXAHVYEBRJDFNQS-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.25
Rot. Bonds3

About 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol

2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol (PubChem CID 156709538) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol
PubChem CID156709538
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol
SMILESCC(F)(CO)CN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C15H19FN2O/c1-15(16,10-19)9-18-7-6-12-11-4-2-3-5-13(11)17-14(12)8-18/h2-5,17,19H,6-10H2,1H3
InChIKeyXAHVYEBRJDFNQS-UHFFFAOYSA-N
XLogP2.25
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol 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

ethane;2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 156709486
N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide
CID 130265518
2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 22154185
N-tert-butyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanimine
CID 14105650
1-(4-fluorophenyl)-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)butan-1-one
CID 18621486
2-[(3-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 766064
1-(benzylamino)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-ol
CID 154638273
2-[(3-methylthiophen-2-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 40514091
1-[4-(1-phenylethyl)piperazin-1-yl]-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 25161253
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 136550652
1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propane-1-sulfonic acid
CID 87851999

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol?
The IUPAC name of 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol (CID 156709538) is 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol.
What is the SMILES notation for 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol?
The canonical SMILES for 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol is CC(F)(CO)CN1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol?
The InChIKey is XAHVYEBRJDFNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(16,10-19)9-18-7-6-12-11-4-2-3-5-13(11)17-14(12)8-18/h2-5,17,19H,6-10H2,1H3.
What are the key properties of 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol?
2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol has a molecular weight of 262.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol is sourced from PubChem (CID 156709538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).