2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile

C19H18N2O — CID 11162092

IUPAC2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCCCn2ccc3ccccc32)cc1
InChIInChI=1S/C19H18N2O/c20-12-10-16-6-8-18(9-7-16)22-15-3-13-21-14-11-17-4-1-2-5-19(17)21/h1-2,4-9,11,14H,3,10,13,15H2
InChIKeyCIXLVKMOTQSKEZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.18
Rot. Bonds6

About 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile

2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile (PubChem CID 11162092) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile
PubChem CID11162092
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCCCn2ccc3ccccc32)cc1
InChIInChI=1S/C19H18N2O/c20-12-10-16-6-8-18(9-7-16)22-15-3-13-21-14-11-17-4-1-2-5-19(17)21/h1-2,4-9,11,14H,3,10,13,15H2
InChIKeyCIXLVKMOTQSKEZ-UHFFFAOYSA-N
XLogP4.18
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3,4,5-trimethoxyphenoxy)propyl]indole
CID 141115136
2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile
CID 43289160
2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 145341891
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
(2S)-2-ethoxy-3-[4-(2-indol-1-ylethoxy)phenyl]propan-1-ol
CID 10427312
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-iodopropyl)indole
CID 11323600
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-fluoropropyl)indole
CID 81113690
2-[4-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]phenyl]acetonitrile
CID 80579298
2-[4-[2-(4-iodophenoxy)ethoxy]phenyl]acetonitrile
CID 43289842
2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]acetonitrile
CID 43243668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile (CID 11162092) is 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile is N#CCc1ccc(OCCCn2ccc3ccccc32)cc1.
What is the InChIKey of 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile?
The InChIKey is CIXLVKMOTQSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-12-10-16-6-8-18(9-7-16)22-15-3-13-21-14-11-17-4-1-2-5-19(17)21/h1-2,4-9,11,14H,3,10,13,15H2.
What are the key properties of 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile?
2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile has a molecular weight of 290.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile is sourced from PubChem (CID 11162092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).