N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine

C23H29N3 — CID 118724303

IUPACN-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine
SMILESCN(CCCN1CCc2c([nH]c3ccccc23)C1)CCc1ccccc1
InChIInChI=1S/C23H29N3/c1-25(16-12-19-8-3-2-4-9-19)14-7-15-26-17-13-21-20-10-5-6-11-22(20)24-23(21)18-26/h2-6,8-11,24H,7,12-18H2,1H3
InChIKeyYKXWZQXJSLUKEV-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.09
Rot. Bonds7

About N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine

N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine (PubChem CID 118724303) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine
PubChem CID118724303
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC NameN-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine
SMILESCN(CCCN1CCc2c([nH]c3ccccc23)C1)CCc1ccccc1
InChIInChI=1S/C23H29N3/c1-25(16-12-19-8-3-2-4-9-19)14-7-15-26-17-13-21-20-10-5-6-11-22(20)24-23(21)18-26/h2-6,8-11,24H,7,12-18H2,1H3
InChIKeyYKXWZQXJSLUKEV-UHFFFAOYSA-N
XLogP4.09
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine (CID 118724303) is N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine is CN(CCCN1CCc2c([nH]c3ccccc23)C1)CCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine?
The InChIKey is YKXWZQXJSLUKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-25(16-12-19-8-3-2-4-9-19)14-7-15-26-17-13-21-20-10-5-6-11-22(20)24-23(21)18-26/h2-6,8-11,24H,7,12-18H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine?
N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine has a molecular weight of 347.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine is sourced from PubChem (CID 118724303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).