4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine

C24H25N3O — CID 4310316

IUPAC4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3ccc(Oc4ccccc4)cc3c2CCCCN)nc1
InChIInChI=1S/C24H25N3O/c1-17-10-12-23(26-16-17)24-20(9-5-6-14-25)21-15-19(11-13-22(21)27-24)28-18-7-3-2-4-8-18/h2-4,7-8,10-13,15-16,27H,5-6,9,14,25H2,1H3
InChIKeyPNLQGELLQTZWEG-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.61
Rot. Bonds7

About 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine

4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine (PubChem CID 4310316) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
PubChem CID4310316
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3ccc(Oc4ccccc4)cc3c2CCCCN)nc1
InChIInChI=1S/C24H25N3O/c1-17-10-12-23(26-16-17)24-20(9-5-6-14-25)21-15-19(11-13-22(21)27-24)28-18-7-3-2-4-8-18/h2-4,7-8,10-13,15-16,27H,5-6,9,14,25H2,1H3
InChIKeyPNLQGELLQTZWEG-UHFFFAOYSA-N
XLogP5.61
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-phenoxy-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5253116
2-[3-(4-aminobutyl)-2-(5-methyl-2-pyridinyl)-1H-indol-5-yl]acetic acid
CID 5139292
4-[5-ethoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4309736
4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3934944
4-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3539638
4-[7-fluoro-2-(5-methyl-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3397207
4-[2-(4-methoxyquinolin-2-yl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 4520572
4-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3291203
4-[2-(5-bromo-3-pyridinyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine
CID 4012786
4-[2-(4-methoxyquinolin-2-yl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine
CID 4543736
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3895862

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine (CID 4310316) is 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine is Cc1ccc(-c2[nH]c3ccc(Oc4ccccc4)cc3c2CCCCN)nc1.
What is the InChIKey of 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine?
The InChIKey is PNLQGELLQTZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17-10-12-23(26-16-17)24-20(9-5-6-14-25)21-15-19(11-13-22(21)27-24)28-18-7-3-2-4-8-18/h2-4,7-8,10-13,15-16,27H,5-6,9,14,25H2,1H3.
What are the key properties of 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine?
4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine has a molecular weight of 371.48 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-2-pyridinyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4310316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).