5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine

C17H17ClN2O — CID 167467779

IUPAC5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine
SMILESCNc1c[nH]c2ccc(CCOc3ccc(Cl)cc3)cc12
InChIInChI=1S/C17H17ClN2O/c1-19-17-11-20-16-7-2-12(10-15(16)17)8-9-21-14-5-3-13(18)4-6-14/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyXXPRAVXUNSLMKP-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.48
Rot. Bonds5

About 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine

5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine (PubChem CID 167467779) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine
PubChem CID167467779
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine
SMILESCNc1c[nH]c2ccc(CCOc3ccc(Cl)cc3)cc12
InChIInChI=1S/C17H17ClN2O/c1-19-17-11-20-16-7-2-12(10-15(16)17)8-9-21-14-5-3-13(18)4-6-14/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyXXPRAVXUNSLMKP-UHFFFAOYSA-N
XLogP4.48
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide
CID 167467711
N-(3,3-difluorobutylsulfanyl)-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-amine
CID 168986982
trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
5-chloro-2-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798723
N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide
CID 167468267
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
CID 168986829

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine?
The IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine (CID 167467779) is 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine?
The canonical SMILES for 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine is CNc1c[nH]c2ccc(CCOc3ccc(Cl)cc3)cc12.
What is the InChIKey of 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine?
The InChIKey is XXPRAVXUNSLMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-19-17-11-20-16-7-2-12(10-15(16)17)8-9-21-14-5-3-13(18)4-6-14/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine?
5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine has a molecular weight of 300.79 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine is sourced from PubChem (CID 167467779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).