2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine

C17H19N3 — CID 102878789

IUPAC2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
SMILESCc1cncc(Cn2ccc3c(CCN)cccc32)c1
InChIInChI=1S/C17H19N3/c1-13-9-14(11-19-10-13)12-20-8-6-16-15(5-7-18)3-2-4-17(16)20/h2-4,6,8-11H,5,7,12,18H2,1H3
InChIKeyBPEGNDIEUUXRTO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.89
Rot. Bonds4

About 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine

2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine (PubChem CID 102878789) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
PubChem CID102878789
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
SMILESCc1cncc(Cn2ccc3c(CCN)cccc32)c1
InChIInChI=1S/C17H19N3/c1-13-9-14(11-19-10-13)12-20-8-6-16-15(5-7-18)3-2-4-17(16)20/h2-4,6,8-11H,5,7,12,18H2,1H3
InChIKeyBPEGNDIEUUXRTO-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971
1-[(5-methyl-3-pyridinyl)methyl]indole-4-carbothioamide
CID 107919437
2-[1-[(3,4-difluorophenyl)methyl]indol-4-yl]ethanamine
CID 82926195
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 102878793
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190
2-[1-[(5-fluoro-2-methylphenyl)methyl]indol-4-yl]ethanamine
CID 105375151
1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
CID 104801167
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
CID 104801171
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
CID 114084739
1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
CID 102917234
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
CID 82920553

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine (CID 102878789) is 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine is Cc1cncc(Cn2ccc3c(CCN)cccc32)c1.
What is the InChIKey of 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine?
The InChIKey is BPEGNDIEUUXRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-9-14(11-19-10-13)12-20-8-6-16-15(5-7-18)3-2-4-17(16)20/h2-4,6,8-11H,5,7,12,18H2,1H3.
What are the key properties of 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine?
2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine is sourced from PubChem (CID 102878789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).