2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol

C15H20N2O — CID 117180534

IUPAC2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
SMILESCC(C)n1c(CNC2CC2)cc2ccc(O)cc21
InChIInChI=1S/C15H20N2O/c1-10(2)17-13(9-16-12-4-5-12)7-11-3-6-14(18)8-15(11)17/h3,6-8,10,12,16,18H,4-5,9H2,1-2H3
InChIKeyCCQBADCAERCLDU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.18
Rot. Bonds4

About 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol

2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol (PubChem CID 117180534) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
PubChem CID117180534
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
SMILESCC(C)n1c(CNC2CC2)cc2ccc(O)cc21
InChIInChI=1S/C15H20N2O/c1-10(2)17-13(9-16-12-4-5-12)7-11-3-6-14(18)8-15(11)17/h3,6-8,10,12,16,18H,4-5,9H2,1-2H3
InChIKeyCCQBADCAERCLDU-UHFFFAOYSA-N
XLogP3.18
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol?
The IUPAC name of 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol (CID 117180534) is 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol is CC(C)n1c(CNC2CC2)cc2ccc(O)cc21.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol?
The InChIKey is CCQBADCAERCLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)17-13(9-16-12-4-5-12)7-11-3-6-14(18)8-15(11)17/h3,6-8,10,12,16,18H,4-5,9H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol?
2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol has a molecular weight of 244.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol is sourced from PubChem (CID 117180534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).