N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine

C17H19N3 — CID 66408219

IUPACN-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
SMILESCNCc1cn(CCc2ccncc2)c2ccccc12
InChIInChI=1S/C17H19N3/c1-18-12-15-13-20(17-5-3-2-4-16(15)17)11-8-14-6-9-19-10-7-14/h2-7,9-10,13,18H,8,11-12H2,1H3
InChIKeyXMGUQJAJQUXXHJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.00
Rot. Bonds5

About N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine

N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine (PubChem CID 66408219) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
PubChem CID66408219
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
SMILESCNCc1cn(CCc2ccncc2)c2ccccc12
InChIInChI=1S/C17H19N3/c1-18-12-15-13-20(17-5-3-2-4-16(15)17)11-8-14-6-9-19-10-7-14/h2-7,9-10,13,18H,8,11-12H2,1H3
InChIKeyXMGUQJAJQUXXHJ-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
CID 46987148
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
CID 66409305
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66407982
N-[2-(1-butylindol-3-yl)ethyl]pyridin-4-amine
CID 67761512
4-bromo-1-(2-pyridin-4-ylethyl)indole
CID 116625918
1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102856737
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine (CID 66408219) is N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine is CNCc1cn(CCc2ccncc2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine?
The InChIKey is XMGUQJAJQUXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-12-15-13-20(17-5-3-2-4-16(15)17)11-8-14-6-9-19-10-7-14/h2-7,9-10,13,18H,8,11-12H2,1H3.
What are the key properties of N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine?
N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine is sourced from PubChem (CID 66408219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).