1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol

C21H21N3O — CID 10246141

IUPAC1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol
SMILESCN(C)C(Cc1ccccc1)c1nccc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C21H21N3O/c1-24(2)19(12-14-6-4-3-5-7-14)21-20-16(10-11-22-21)17-13-15(25)8-9-18(17)23-20/h3-11,13,19,23,25H,12H2,1-2H3
InChIKeyRHWHMFSBROSYKE-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.27
Rot. Bonds4

About 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol

1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol (PubChem CID 10246141) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol
PubChem CID10246141
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol
SMILESCN(C)C(Cc1ccccc1)c1nccc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C21H21N3O/c1-24(2)19(12-14-6-4-3-5-7-14)21-20-16(10-11-22-21)17-13-15(25)8-9-18(17)23-20/h3-11,13,19,23,25H,12H2,1-2H3
InChIKeyRHWHMFSBROSYKE-UHFFFAOYSA-N
XLogP4.27
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol?
The IUPAC name of 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol (CID 10246141) is 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol?
The canonical SMILES for 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol is CN(C)C(Cc1ccccc1)c1nccc2c1[nH]c1ccc(O)cc12.
What is the InChIKey of 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol?
The InChIKey is RHWHMFSBROSYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-24(2)19(12-14-6-4-3-5-7-14)21-20-16(10-11-22-21)17-13-15(25)8-9-18(17)23-20/h3-11,13,19,23,25H,12H2,1-2H3.
What are the key properties of 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol?
1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol has a molecular weight of 331.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-2-phenylethyl]-9H-pyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 10246141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).