4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

C18H25FN2 — CID 10424220

IUPAC4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
InChIInChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
InChIKeyYCTBHVBIEDZWCH-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.29
Rot. Bonds5

About 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 10424220) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound Name4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID10424220
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
InChIInChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
InChIKeyYCTBHVBIEDZWCH-UHFFFAOYSA-N
XLogP4.29
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 10424220) is 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1.
What is the InChIKey of 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is YCTBHVBIEDZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 288.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 10424220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).