4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine

C20H24N2O — CID 58088594

IUPAC4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
SMILESCNCCCC(c1ccccc1)c1c[nH]c2cccc(OC)c12
InChIInChI=1S/C20H24N2O/c1-21-13-7-10-16(15-8-4-3-5-9-15)17-14-22-18-11-6-12-19(23-2)20(17)18/h3-6,8-9,11-12,14,16,21-22H,7,10,13H2,1-2H3
InChIKeyTYUWGTBXVZXORN-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.31
Rot. Bonds7

About 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine

4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 58088594) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
PubChem CID58088594
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
SMILESCNCCCC(c1ccccc1)c1c[nH]c2cccc(OC)c12
InChIInChI=1S/C20H24N2O/c1-21-13-7-10-16(15-8-4-3-5-9-15)17-14-22-18-11-6-12-19(23-2)20(17)18/h3-6,8-9,11-12,14,16,21-22H,7,10,13H2,1-2H3
InChIKeyTYUWGTBXVZXORN-UHFFFAOYSA-N
XLogP4.31
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
CID 67268953
3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
CID 58088528
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 58088517
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088539
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 102386429
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide
CID 97266539
3-fluoro-4-methoxy-1H-indole
CID 162696038

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine (CID 58088594) is 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine is CNCCCC(c1ccccc1)c1c[nH]c2cccc(OC)c12.
What is the InChIKey of 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is TYUWGTBXVZXORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21-13-7-10-16(15-8-4-3-5-9-15)17-14-22-18-11-6-12-19(23-2)20(17)18/h3-6,8-9,11-12,14,16,21-22H,7,10,13H2,1-2H3.
What are the key properties of 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine?
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 58088594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).