5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole

C25H30N2O — CID 70484601

IUPAC5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
SMILESCOc1ccc2c(ccn2C)c1CCCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C25H30N2O/c1-26-17-15-22-23(25(28-2)12-11-24(22)26)10-6-7-16-27-18-13-21(14-19-27)20-8-4-3-5-9-20/h3-5,8-9,11-13,15,17H,6-7,10,14,16,18-19H2,1-2H3
InChIKeyOBBDDJFTYYSYFL-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.30
Rot. Bonds7

About 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole

5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole (PubChem CID 70484601) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole.

Molecular Properties

Compound Name5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
PubChem CID70484601
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
SMILESCOc1ccc2c(ccn2C)c1CCCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C25H30N2O/c1-26-17-15-22-23(25(28-2)12-11-24(22)26)10-6-7-16-27-18-13-21(14-19-27)20-8-4-3-5-9-20/h3-5,8-9,11-13,15,17H,6-7,10,14,16,18-19H2,1-2H3
InChIKeyOBBDDJFTYYSYFL-UHFFFAOYSA-N
XLogP5.30
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483326
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117314453
5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483108
2-[ethoxycarbonyl-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]amino]-4,5-dimethoxybenzoic acid
CID 19087658
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483148
4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-2H-phthalazin-1-one
CID 10237099
4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole
CID 70063002
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
1-[2-(2-methoxy-5-phenylphenyl)ethyl]-4-(2,4,5-trifluoro-3-methylphenyl)-3,6-dihydro-2H-pyridine
CID 19612162
1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 110177591

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole?
The IUPAC name of 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole (CID 70484601) is 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole.
What is the SMILES notation for 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole?
The canonical SMILES for 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole is COc1ccc2c(ccn2C)c1CCCCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole?
The InChIKey is OBBDDJFTYYSYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-26-17-15-22-23(25(28-2)12-11-24(22)26)10-6-7-16-27-18-13-21(14-19-27)20-8-4-3-5-9-20/h3-5,8-9,11-13,15,17H,6-7,10,14,16,18-19H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole?
5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole has a molecular weight of 374.53 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole is sourced from PubChem (CID 70484601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).