1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine

C16H16ClFN2O — CID 39440870

IUPAC1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(CCOc1ccc(F)cc1Cl)CC2
InChIInChI=1S/C16H16ClFN2O/c17-14-9-12(18)2-4-16(14)21-8-7-20-6-5-11-1-3-13(19)10-15(11)20/h1-4,9-10H,5-8,19H2
InChIKeyCJLHWKVZGCLQEQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine

1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine (PubChem CID 39440870) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine
PubChem CID39440870
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(CCOc1ccc(F)cc1Cl)CC2
InChIInChI=1S/C16H16ClFN2O/c17-14-9-12(18)2-4-16(14)21-8-7-20-6-5-11-1-3-13(19)10-15(11)20/h1-4,9-10H,5-8,19H2
InChIKeyCJLHWKVZGCLQEQ-UHFFFAOYSA-N
XLogP3.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
CID 43457237
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 102856206
1-[2-(3-tert-butylphenoxy)ethyl]-2,3-dihydroindol-6-amine
CID 39448729
1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
CID 103180351
4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 88907206
4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
2-[(6-amino-2,3-dihydroindol-1-yl)methyl]-4-fluorobenzonitrile
CID 107906091
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 107274633
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
1-[2-(4-fluorophenoxy)ethyl]-2,3-dihydroindole
CID 82089229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine (CID 39440870) is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(CCOc1ccc(F)cc1Cl)CC2.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine?
The InChIKey is CJLHWKVZGCLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-14-9-12(18)2-4-16(14)21-8-7-20-6-5-11-1-3-13(19)10-15(11)20/h1-4,9-10H,5-8,19H2.
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine?
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine has a molecular weight of 306.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 39440870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).