2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol

C15H21FN2O — CID 103503991

IUPAC2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN1CCc2ccc(F)cc21)C1CC1
InChIInChI=1S/C15H21FN2O/c1-17-15(10-19,12-3-4-12)9-18-7-6-11-2-5-13(16)8-14(11)18/h2,5,8,12,17,19H,3-4,6-7,9-10H2,1H3
InChIKeySHLPJJMHJRMKBQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.55
Rot. Bonds5

About 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol

2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol (PubChem CID 103503991) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol
PubChem CID103503991
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN1CCc2ccc(F)cc21)C1CC1
InChIInChI=1S/C15H21FN2O/c1-17-15(10-19,12-3-4-12)9-18-7-6-11-2-5-13(16)8-14(11)18/h2,5,8,12,17,19H,3-4,6-7,9-10H2,1H3
InChIKeySHLPJJMHJRMKBQ-UHFFFAOYSA-N
XLogP1.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 103503977
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-2-ol
CID 103873387
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 103501897
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 103501869
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
2-cyclopropyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)propan-1-ol
CID 64798243
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 103502593
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol (CID 103503991) is 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol is CNC(CO)(CN1CCc2ccc(F)cc21)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol?
The InChIKey is SHLPJJMHJRMKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-17-15(10-19,12-3-4-12)9-18-7-6-11-2-5-13(16)8-14(11)18/h2,5,8,12,17,19H,3-4,6-7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol has a molecular weight of 264.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 103503991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).