8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

C19H25FN2O — CID 11723305

IUPAC8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C19H25FN2O/c1-3-7-22(8-4-2)15-6-5-13-9-17(20)19-18(16(13)10-15)14(12-23)11-21-19/h9,11-12,15,21H,3-8,10H2,1-2H3
InChIKeyICOOOYKBBQSJND-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.10
Rot. Bonds6

About 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 11723305) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID11723305
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C19H25FN2O/c1-3-7-22(8-4-2)15-6-5-13-9-17(20)19-18(16(13)10-15)14(12-23)11-21-19/h9,11-12,15,21H,3-8,10H2,1-2H3
InChIKeyICOOOYKBBQSJND-UHFFFAOYSA-N
XLogP4.10
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 11723305) is 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is ICOOOYKBBQSJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-3-7-22(8-4-2)15-6-5-13-9-17(20)19-18(16(13)10-15)14(12-23)11-21-19/h9,11-12,15,21H,3-8,10H2,1-2H3.
What are the key properties of 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 316.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dipropylamino)-4-fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 11723305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).