3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol

C19H21ClN2O2 — CID 11221652

IUPAC3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol
SMILESCC(Cc1c[nH]c2c(O)cccc12)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12(21-11-18(24)13-4-2-5-15(20)9-13)8-14-10-22-19-16(14)6-3-7-17(19)23/h2-7,9-10,12,18,21-24H,8,11H2,1H3/t12?,18-/m0/s1
InChIKeySAKZWBFZCQWUSG-ZJFPTPTDSA-N
MW344.84 g/mol
LogP3.78
Rot. Bonds6

About 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol

3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol (PubChem CID 11221652) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol.

Molecular Properties

Compound Name3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol
PubChem CID11221652
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol
SMILESCC(Cc1c[nH]c2c(O)cccc12)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12(21-11-18(24)13-4-2-5-15(20)9-13)8-14-10-22-19-16(14)6-3-7-17(19)23/h2-7,9-10,12,18,21-24H,8,11H2,1H3/t12?,18-/m0/s1
InChIKeySAKZWBFZCQWUSG-ZJFPTPTDSA-N
XLogP3.78
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol?
The IUPAC name of 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol (CID 11221652) is 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol.
What is the SMILES notation for 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol?
The canonical SMILES for 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol is CC(Cc1c[nH]c2c(O)cccc12)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol?
The InChIKey is SAKZWBFZCQWUSG-ZJFPTPTDSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12(21-11-18(24)13-4-2-5-15(20)9-13)8-14-10-22-19-16(14)6-3-7-17(19)23/h2-7,9-10,12,18,21-24H,8,11H2,1H3/t12?,18-/m0/s1.
What are the key properties of 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol?
3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol has a molecular weight of 344.84 g/mol, XLogP of 3.78, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-ol is sourced from PubChem (CID 11221652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).