2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol

C14H15N3O — CID 115004279

IUPAC2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
SMILESCNCC(O)c1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C14H15N3O/c1-15-8-13(18)9-4-5-12-11(7-9)10-3-2-6-16-14(10)17-12/h2-7,13,15,18H,8H2,1H3,(H,16,17)
InChIKeyBYKDGJYQBZSVAR-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.97
Rot. Bonds3

About 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol

2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol (PubChem CID 115004279) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
PubChem CID115004279
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
SMILESCNCC(O)c1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C14H15N3O/c1-15-8-13(18)9-4-5-12-11(7-9)10-3-2-6-16-14(10)17-12/h2-7,13,15,18H,8H2,1H3,(H,16,17)
InChIKeyBYKDGJYQBZSVAR-UHFFFAOYSA-N
XLogP1.97
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 57456842
ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate
CID 117428854
2-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 69258073
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
1-(9H-carbazol-3-yl)-3-methylbutan-1-ol
CID 61087531
2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82496150
2-(methylamino)-1-(4-pyridin-2-ylphenyl)ethanol
CID 70986853
9H-pyrido[2,3-b]indole;2H-triazole
CID 67361735
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
1-(9H-carbazol-3-yl)-4-methylpentan-1-ol
CID 61088469

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol (CID 115004279) is 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol is CNCC(O)c1ccc2[nH]c3ncccc3c2c1.
What is the InChIKey of 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
The InChIKey is BYKDGJYQBZSVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-8-13(18)9-4-5-12-11(7-9)10-3-2-6-16-14(10)17-12/h2-7,13,15,18H,8H2,1H3,(H,16,17).
What are the key properties of 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol?
2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol has a molecular weight of 241.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol is sourced from PubChem (CID 115004279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).