1-(4-phenylbutyl)indol-5-amine

C18H20N2 — CID 114333583

IUPAC1-(4-phenylbutyl)indol-5-amine
SMILESNc1ccc2c(ccn2CCCCc2ccccc2)c1
InChIInChI=1S/C18H20N2/c19-17-9-10-18-16(14-17)11-13-20(18)12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12,19H2
InChIKeyDXRGMNGQCOYZEJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.25
Rot. Bonds5

About 1-(4-phenylbutyl)indol-5-amine

1-(4-phenylbutyl)indol-5-amine (PubChem CID 114333583) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-phenylbutyl)indol-5-amine.

Molecular Properties

Compound Name1-(4-phenylbutyl)indol-5-amine
PubChem CID114333583
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-(4-phenylbutyl)indol-5-amine
SMILESNc1ccc2c(ccn2CCCCc2ccccc2)c1
InChIInChI=1S/C18H20N2/c19-17-9-10-18-16(14-17)11-13-20(18)12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12,19H2
InChIKeyDXRGMNGQCOYZEJ-UHFFFAOYSA-N
XLogP4.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(4-phenylbutyl)indol-6-yl]methanamine
CID 102916392
6-bromo-1-(4-phenylbutyl)indole
CID 114334825
1-(2-phenylsulfanylethyl)indol-5-amine
CID 79222647
2-(5-aminoindol-1-yl)ethanol
CID 43165354
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
1-(2-phenylethyl)indole
CID 12601752
1-(3-morpholin-4-ylpropyl)indol-5-amine
CID 170992123
1-[2-(2-methylpyrazol-3-yl)ethyl]indol-5-amine
CID 103002337
methanamine;1-(2-phenylethyl)indole
CID 144619116
5-cyclopropyl-2-[[1-(2-phenylethyl)indol-5-yl]methyl]pyridine-3-carboxylic acid;1-(2-phenylethyl)indol-5-amine
CID 162134508

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)indol-5-amine?
The IUPAC name of 1-(4-phenylbutyl)indol-5-amine (CID 114333583) is 1-(4-phenylbutyl)indol-5-amine.
What is the SMILES notation for 1-(4-phenylbutyl)indol-5-amine?
The canonical SMILES for 1-(4-phenylbutyl)indol-5-amine is Nc1ccc2c(ccn2CCCCc2ccccc2)c1.
What is the InChIKey of 1-(4-phenylbutyl)indol-5-amine?
The InChIKey is DXRGMNGQCOYZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-17-9-10-18-16(14-17)11-13-20(18)12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12,19H2.
What are the key properties of 1-(4-phenylbutyl)indol-5-amine?
1-(4-phenylbutyl)indol-5-amine has a molecular weight of 264.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)indol-5-amine is sourced from PubChem (CID 114333583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).