N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine

C25H33N3 — CID 59646674

IUPACN-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
SMILESCC(C)c1cc2c(CN(C)Cc3ccccc3CN3CCCC3)cccc2[nH]1
InChIInChI=1S/C25H33N3/c1-19(2)25-15-23-22(11-8-12-24(23)26-25)17-27(3)16-20-9-4-5-10-21(20)18-28-13-6-7-14-28/h4-5,8-12,15,19,26H,6-7,13-14,16-18H2,1-3H3
InChIKeyMVMBHSNAMDRNPT-UHFFFAOYSA-N
MW375.56 g/mol
LogP5.52
Rot. Bonds7

About N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine

N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine (PubChem CID 59646674) has the molecular formula C25H33N3 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
PubChem CID59646674
Molecular FormulaC25H33N3
Molecular Weight375.56 g/mol
Exact Mass375.27
IUPAC NameN-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
SMILESCC(C)c1cc2c(CN(C)Cc3ccccc3CN3CCCC3)cccc2[nH]1
InChIInChI=1S/C25H33N3/c1-19(2)25-15-23-22(11-8-12-24(23)26-25)17-27(3)16-20-9-4-5-10-21(20)18-28-13-6-7-14-28/h4-5,8-12,15,19,26H,6-7,13-14,16-18H2,1-3H3
InChIKeyMVMBHSNAMDRNPT-UHFFFAOYSA-N
XLogP5.52
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The IUPAC name of N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine (CID 59646674) is N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine is CC(C)c1cc2c(CN(C)Cc3ccccc3CN3CCCC3)cccc2[nH]1.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
The InChIKey is MVMBHSNAMDRNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3/c1-19(2)25-15-23-22(11-8-12-24(23)26-25)17-27(3)16-20-9-4-5-10-21(20)18-28-13-6-7-14-28/h4-5,8-12,15,19,26H,6-7,13-14,16-18H2,1-3H3.
What are the key properties of N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine?
N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine has a molecular weight of 375.56 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 59646674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).