[1-(4-phenylbutyl)indol-6-yl]methanamine

C19H22N2 — CID 102916392

IUPAC[1-(4-phenylbutyl)indol-6-yl]methanamine
SMILESNCc1ccc2ccn(CCCCc3ccccc3)c2c1
InChIInChI=1S/C19H22N2/c20-15-17-9-10-18-11-13-21(19(18)14-17)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-11,13-14H,4-5,8,12,15,20H2
InChIKeyZTAWJODJDJLRSM-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.12
Rot. Bonds6

About [1-(4-phenylbutyl)indol-6-yl]methanamine

[1-(4-phenylbutyl)indol-6-yl]methanamine (PubChem CID 102916392) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-(4-phenylbutyl)indol-6-yl]methanamine.

Molecular Properties

Compound Name[1-(4-phenylbutyl)indol-6-yl]methanamine
PubChem CID102916392
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name[1-(4-phenylbutyl)indol-6-yl]methanamine
SMILESNCc1ccc2ccn(CCCCc3ccccc3)c2c1
InChIInChI=1S/C19H22N2/c20-15-17-9-10-18-11-13-21(19(18)14-17)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-11,13-14H,4-5,8,12,15,20H2
InChIKeyZTAWJODJDJLRSM-UHFFFAOYSA-N
XLogP4.12
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-(4-phenylbutyl)indole
CID 114334825
[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
1-(4-phenylbutyl)indol-5-amine
CID 114333583
2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
CID 102917753
1-(2-phenylethyl)indole
CID 12601752
[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
CID 65165019
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine
CID 102916378
methanamine;1-(2-phenylethyl)indole
CID 144619116
3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine
CID 170866731
[3-[[6-(aminomethyl)indol-1-yl]methyl]phenyl]methyl carbamate
CID 175555612

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenylbutyl)indol-6-yl]methanamine?
The IUPAC name of [1-(4-phenylbutyl)indol-6-yl]methanamine (CID 102916392) is [1-(4-phenylbutyl)indol-6-yl]methanamine.
What is the SMILES notation for [1-(4-phenylbutyl)indol-6-yl]methanamine?
The canonical SMILES for [1-(4-phenylbutyl)indol-6-yl]methanamine is NCc1ccc2ccn(CCCCc3ccccc3)c2c1.
What is the InChIKey of [1-(4-phenylbutyl)indol-6-yl]methanamine?
The InChIKey is ZTAWJODJDJLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c20-15-17-9-10-18-11-13-21(19(18)14-17)12-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-11,13-14H,4-5,8,12,15,20H2.
What are the key properties of [1-(4-phenylbutyl)indol-6-yl]methanamine?
[1-(4-phenylbutyl)indol-6-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenylbutyl)indol-6-yl]methanamine is sourced from PubChem (CID 102916392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).