[2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine

C19H21N3 — CID 174791036

IUPAC[2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine
SMILESCn1c2c(c3ccccc31)CCN(c1ccccc1CN)C2
InChIInChI=1S/C19H21N3/c1-21-18-9-5-3-7-15(18)16-10-11-22(13-19(16)21)17-8-4-2-6-14(17)12-20/h2-9H,10-13,20H2,1H3
InChIKeyZOXPZSCWHYPDAP-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.20
Rot. Bonds2

About [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine

[2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine (PubChem CID 174791036) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine
PubChem CID174791036
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name[2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine
SMILESCn1c2c(c3ccccc31)CCN(c1ccccc1CN)C2
InChIInChI=1S/C19H21N3/c1-21-18-9-5-3-7-15(18)16-10-11-22(13-19(16)21)17-8-4-2-6-14(17)12-20/h2-9H,10-13,20H2,1H3
InChIKeyZOXPZSCWHYPDAP-UHFFFAOYSA-N
XLogP3.20
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine?
The IUPAC name of [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine (CID 174791036) is [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine?
The canonical SMILES for [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine is Cn1c2c(c3ccccc31)CCN(c1ccccc1CN)C2.
What is the InChIKey of [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine?
The InChIKey is ZOXPZSCWHYPDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-21-18-9-5-3-7-15(18)16-10-11-22(13-19(16)21)17-8-4-2-6-14(17)12-20/h2-9H,10-13,20H2,1H3.
What are the key properties of [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine?
[2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]methanamine is sourced from PubChem (CID 174791036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).