[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium

C22H22ClN2O+ — CID 8637005

IUPAC[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium
SMILESCc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C22H21ClN2O/c1-15-18(6-4-7-20(15)23)22-10-9-17(26-22)14-24-12-11-16-13-25-21-8-3-2-5-19(16)21/h2-10,13,24-25H,11-12,14H2,1H3/p+1
InChIKeyWQHIRURMHHGWCR-UHFFFAOYSA-O
MW365.88 g/mol
LogP4.70
Rot. Bonds6

About [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium

[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium (PubChem CID 8637005) has the molecular formula C22H22ClN2O+ and a molecular weight of 365.88 g/mol. Its IUPAC name is [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium
PubChem CID8637005
Molecular FormulaC22H22ClN2O+
Molecular Weight365.88 g/mol
Exact Mass365.14
IUPAC Name[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium
SMILESCc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C22H21ClN2O/c1-15-18(6-4-7-20(15)23)22-10-9-17(26-22)14-24-12-11-16-13-25-21-8-3-2-5-19(16)21/h2-10,13,24-25H,11-12,14H2,1H3/p+1
InChIKeyWQHIRURMHHGWCR-UHFFFAOYSA-O
XLogP4.70
TPSA45.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134
(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 2055772
2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
CID 44664324
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8636961
1-(3-chloro-2-methylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 702579
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide
CID 91686842
(2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987962
2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171713
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
[(1S)-1-(1-adamantyl)ethyl]-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]azanium
CID 8636432

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium?
The IUPAC name of [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium (CID 8637005) is [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium is Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)o1.
What is the InChIKey of [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium?
The InChIKey is WQHIRURMHHGWCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21ClN2O/c1-15-18(6-4-7-20(15)23)22-10-9-17(26-22)14-24-12-11-16-13-25-21-8-3-2-5-19(16)21/h2-10,13,24-25H,11-12,14H2,1H3/p+1.
What are the key properties of [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium?
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium has a molecular weight of 365.88 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 8637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).