N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline

C17H19FN2 — CID 103503442

IUPACN-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCN1CCc2ccc(F)cc21
InChIInChI=1S/C17H19FN2/c1-13-4-2-3-5-16(13)19-9-11-20-10-8-14-6-7-15(18)12-17(14)20/h2-7,12,19H,8-11H2,1H3
InChIKeyDPHIPDFLXFFLRY-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.61
Rot. Bonds4

About N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline

N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline (PubChem CID 103503442) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
PubChem CID103503442
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC NameN-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCN1CCc2ccc(F)cc21
InChIInChI=1S/C17H19FN2/c1-13-4-2-3-5-16(13)19-9-11-20-10-8-14-6-7-15(18)12-17(14)20/h2-7,12,19H,8-11H2,1H3
InChIKeyDPHIPDFLXFFLRY-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline
CID 54806518
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-phenylpropan-2-ol
CID 103873387
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-propylbutan-2-amine
CID 103494946
2-(2,3-dihydroindol-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084883
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline (CID 103503442) is N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCN1CCc2ccc(F)cc21.
What is the InChIKey of N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline?
The InChIKey is DPHIPDFLXFFLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-13-4-2-3-5-16(13)19-9-11-20-10-8-14-6-7-15(18)12-17(14)20/h2-7,12,19H,8-11H2,1H3.
What are the key properties of N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline?
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline has a molecular weight of 270.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 103503442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).