2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine

C20H19N3 — CID 118674112

IUPAC2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine
SMILESCc1ccc2c(c1)[nH]c1nccc(-c3cccc(CCN)c3)c12
InChIInChI=1S/C20H19N3/c1-13-5-6-17-18(11-13)23-20-19(17)16(8-10-22-20)15-4-2-3-14(12-15)7-9-21/h2-6,8,10-12H,7,9,21H2,1H3,(H,22,23)
InChIKeyOIYXRIRMLUTSNI-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.19
Rot. Bonds3

About 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine

2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine (PubChem CID 118674112) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine
PubChem CID118674112
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine
SMILESCc1ccc2c(c1)[nH]c1nccc(-c3cccc(CCN)c3)c12
InChIInChI=1S/C20H19N3/c1-13-5-6-17-18(11-13)23-20-19(17)16(8-10-22-20)15-4-2-3-14(12-15)7-9-21/h2-6,8,10-12H,7,9,21H2,1H3,(H,22,23)
InChIKeyOIYXRIRMLUTSNI-UHFFFAOYSA-N
XLogP4.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine (CID 118674112) is 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine is Cc1ccc2c(c1)[nH]c1nccc(-c3cccc(CCN)c3)c12.
What is the InChIKey of 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine?
The InChIKey is OIYXRIRMLUTSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13-5-6-17-18(11-13)23-20-19(17)16(8-10-22-20)15-4-2-3-14(12-15)7-9-21/h2-6,8,10-12H,7,9,21H2,1H3,(H,22,23).
What are the key properties of 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine?
2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine has a molecular weight of 301.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 118674112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).