3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine

C19H21ClN2O — CID 170868081

IUPAC3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
SMILESNCCCc1cn(CCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C19H21ClN2O/c20-17-8-2-4-10-19(17)23-13-12-22-14-15(6-5-11-21)16-7-1-3-9-18(16)22/h1-4,7-10,14H,5-6,11-13,21H2
InChIKeySUHFDOWEGBHEGA-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.26
Rot. Bonds7

About 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine

3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine (PubChem CID 170868081) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
PubChem CID170868081
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
SMILESNCCCc1cn(CCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C19H21ClN2O/c20-17-8-2-4-10-19(17)23-13-12-22-14-15(6-5-11-21)16-7-1-3-9-18(16)22/h1-4,7-10,14H,5-6,11-13,21H2
InChIKeySUHFDOWEGBHEGA-UHFFFAOYSA-N
XLogP4.26
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methyl]methanimine
CID 126543976
3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
CID 65177726
3-[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]propan-1-amine
CID 170868083
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
CID 79185478
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
CID 112591716
3-[3-(2-chlorophenoxy)propoxy]propan-1-amine
CID 82353356
[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
5-[[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 988099
2-[1-(3-methylsulfanylpropyl)indol-3-yl]ethanamine
CID 113474367

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine (CID 170868081) is 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine is NCCCc1cn(CCOc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine?
The InChIKey is SUHFDOWEGBHEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-8-2-4-10-19(17)23-13-12-22-14-15(6-5-11-21)16-7-1-3-9-18(16)22/h1-4,7-10,14H,5-6,11-13,21H2.
What are the key properties of 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine?
3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine has a molecular weight of 328.84 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine is sourced from PubChem (CID 170868081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).