1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol

C19H20ClFN2O — CID 11325461

IUPAC1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1c[nH]c2cc(F)ccc12)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClFN2O/c1-12(22-11-19(24)13-3-2-4-15(20)8-13)7-14-10-23-18-9-16(21)5-6-17(14)18/h2-6,8-10,12,19,22-24H,7,11H2,1H3
InChIKeyKCHPVCNQWLFONG-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.21
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol (PubChem CID 11325461) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol
PubChem CID11325461
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1c[nH]c2cc(F)ccc12)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClFN2O/c1-12(22-11-19(24)13-3-2-4-15(20)8-13)7-14-10-23-18-9-16(21)5-6-17(14)18/h2-6,8-10,12,19,22-24H,7,11H2,1H3
InChIKeyKCHPVCNQWLFONG-UHFFFAOYSA-N
XLogP4.21
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol (CID 11325461) is 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol is CC(Cc1c[nH]c2cc(F)ccc12)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol?
The InChIKey is KCHPVCNQWLFONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-12(22-11-19(24)13-3-2-4-15(20)8-13)7-14-10-23-18-9-16(21)5-6-17(14)18/h2-6,8-10,12,19,22-24H,7,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol has a molecular weight of 346.83 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-(6-fluoro-1H-indol-3-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 11325461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).