N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine

C15H21FN2 — CID 82498818

IUPACN-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
SMILESCc1c(CCNC(C)C)c2cccc(F)c2n1C
InChIInChI=1S/C15H21FN2/c1-10(2)17-9-8-12-11(3)18(4)15-13(12)6-5-7-14(15)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyUBFRWRMWAAONOX-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine

N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine (PubChem CID 82498818) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
PubChem CID82498818
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
SMILESCc1c(CCNC(C)C)c2cccc(F)c2n1C
InChIInChI=1S/C15H21FN2/c1-10(2)17-9-8-12-11(3)18(4)15-13(12)6-5-7-14(15)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyUBFRWRMWAAONOX-UHFFFAOYSA-N
XLogP3.17
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine (CID 82498818) is N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine is Cc1c(CCNC(C)C)c2cccc(F)c2n1C.
What is the InChIKey of N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine?
The InChIKey is UBFRWRMWAAONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-10(2)17-9-8-12-11(3)18(4)15-13(12)6-5-7-14(15)16/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine?
N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine has a molecular weight of 248.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82498818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).