[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine

C16H17N3O — CID 102913706

IUPAC[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
SMILESCOc1ncccc1Cn1ccc2cccc(CN)c21
InChIInChI=1S/C16H17N3O/c1-20-16-14(6-3-8-18-16)11-19-9-7-12-4-2-5-13(10-17)15(12)19/h2-9H,10-11,17H2,1H3
InChIKeyKIFIWZFARWAWDA-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.55
Rot. Bonds4

About [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine

[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine (PubChem CID 102913706) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
PubChem CID102913706
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
SMILESCOc1ncccc1Cn1ccc2cccc(CN)c21
InChIInChI=1S/C16H17N3O/c1-20-16-14(6-3-8-18-16)11-19-9-7-12-4-2-5-13(10-17)15(12)19/h2-9H,10-11,17H2,1H3
InChIKeyKIFIWZFARWAWDA-UHFFFAOYSA-N
XLogP2.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
CID 102909917
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449
1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile
CID 107917126
[1-[(3,5-difluorophenyl)methyl]indol-7-yl]methanamine
CID 105409601
7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
[1-[(2-chloro-3-fluorophenyl)methyl]indol-7-yl]methanamine
CID 115984379
[1-[(4-fluoro-2-methylphenyl)methyl]indol-7-yl]methanamine
CID 114349349
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
CID 102913373
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine?
The IUPAC name of [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine (CID 102913706) is [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine.
What is the SMILES notation for [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine?
The canonical SMILES for [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine is COc1ncccc1Cn1ccc2cccc(CN)c21.
What is the InChIKey of [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine?
The InChIKey is KIFIWZFARWAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-16-14(6-3-8-18-16)11-19-9-7-12-4-2-5-13(10-17)15(12)19/h2-9H,10-11,17H2,1H3.
What are the key properties of [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine?
[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine is sourced from PubChem (CID 102913706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).