1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine

C21H19FN2 — CID 57385341

IUPAC1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine
SMILESCC(NCc1cc2ccccc2[nH]1)c1ccc(F)c2ccccc12
InChIInChI=1S/C21H19FN2/c1-14(17-10-11-20(22)19-8-4-3-7-18(17)19)23-13-16-12-15-6-2-5-9-21(15)24-16/h2-12,14,23-24H,13H2,1H3
InChIKeyHHTPCVUTXKSNOG-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.31
Rot. Bonds4

About 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine

1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine (PubChem CID 57385341) has the molecular formula C21H19FN2 and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine
PubChem CID57385341
Molecular FormulaC21H19FN2
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Name1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine
SMILESCC(NCc1cc2ccccc2[nH]1)c1ccc(F)c2ccccc12
InChIInChI=1S/C21H19FN2/c1-14(17-10-11-20(22)19-8-4-3-7-18(17)19)23-13-16-12-15-6-2-5-9-21(15)24-16/h2-12,14,23-24H,13H2,1H3
InChIKeyHHTPCVUTXKSNOG-UHFFFAOYSA-N
XLogP5.31
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine (CID 57385341) is 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine is CC(NCc1cc2ccccc2[nH]1)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine?
The InChIKey is HHTPCVUTXKSNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2/c1-14(17-10-11-20(22)19-8-4-3-7-18(17)19)23-13-16-12-15-6-2-5-9-21(15)24-16/h2-12,14,23-24H,13H2,1H3.
What are the key properties of 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine?
1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine has a molecular weight of 318.40 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine is sourced from PubChem (CID 57385341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).