1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine

C14H21FN2 — CID 162389059

IUPAC1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)Cn1ccc2c1=CCCC=2F
InChIInChI=1S/C14H21FN2/c1-14(2,16(3)4)10-17-9-8-11-12(15)6-5-7-13(11)17/h7-9H,5-6,10H2,1-4H3
InChIKeyNYDMFUIRDRXEQC-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.48
Rot. Bonds3

About 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine

1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine (PubChem CID 162389059) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine
PubChem CID162389059
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)Cn1ccc2c1=CCCC=2F
InChIInChI=1S/C14H21FN2/c1-14(2,16(3)4)10-17-9-8-11-12(15)6-5-7-13(11)17/h7-9H,5-6,10H2,1-4H3
InChIKeyNYDMFUIRDRXEQC-UHFFFAOYSA-N
XLogP1.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine (CID 162389059) is 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)Cn1ccc2c1=CCCC=2F.
What is the InChIKey of 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine?
The InChIKey is NYDMFUIRDRXEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2,16(3)4)10-17-9-8-11-12(15)6-5-7-13(11)17/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine?
1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5,6-dihydroindol-1-yl)-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 162389059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).