2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol

C21H20N2O — CID 127026651

IUPAC2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol
SMILESC[C@@H](NCc1cc2c(O)cccc2[nH]1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O/c1-14(17-9-4-7-15-6-2-3-8-18(15)17)22-13-16-12-19-20(23-16)10-5-11-21(19)24/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1
InChIKeyRQSQMALIKLFWRG-CQSZACIVSA-N
MW316.40 g/mol
LogP4.88
Rot. Bonds4

About 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol

2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol (PubChem CID 127026651) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol.

Molecular Properties

Compound Name2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol
PubChem CID127026651
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol
SMILESC[C@@H](NCc1cc2c(O)cccc2[nH]1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O/c1-14(17-9-4-7-15-6-2-3-8-18(15)17)22-13-16-12-19-20(23-16)10-5-11-21(19)24/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1
InChIKeyRQSQMALIKLFWRG-CQSZACIVSA-N
XLogP4.88
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol?
The IUPAC name of 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol (CID 127026651) is 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol.
What is the SMILES notation for 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol?
The canonical SMILES for 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol is C[C@@H](NCc1cc2c(O)cccc2[nH]1)c1cccc2ccccc12.
What is the InChIKey of 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol?
The InChIKey is RQSQMALIKLFWRG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14(17-9-4-7-15-6-2-3-8-18(15)17)22-13-16-12-19-20(23-16)10-5-11-21(19)24/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol?
2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol has a molecular weight of 316.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-4-ol is sourced from PubChem (CID 127026651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).