4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine

C19H27FN2 — CID 10425027

IUPAC4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine
SMILESCCCN(CCC)C1CCc2cc(F)c3c(ccn3C)c2C1
InChIInChI=1S/C19H27FN2/c1-4-9-22(10-5-2)15-7-6-14-12-18(20)19-16(17(14)13-15)8-11-21(19)3/h8,11-12,15H,4-7,9-10,13H2,1-3H3
InChIKeyVAATVGITWGBTOR-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.30
Rot. Bonds5

About 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine

4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine (PubChem CID 10425027) has the molecular formula C19H27FN2 and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine.

Molecular Properties

Compound Name4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine
PubChem CID10425027
Molecular FormulaC19H27FN2
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Name4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine
SMILESCCCN(CCC)C1CCc2cc(F)c3c(ccn3C)c2C1
InChIInChI=1S/C19H27FN2/c1-4-9-22(10-5-2)15-7-6-14-12-18(20)19-16(17(14)13-15)8-11-21(19)3/h8,11-12,15H,4-7,9-10,13H2,1-3H3
InChIKeyVAATVGITWGBTOR-UHFFFAOYSA-N
XLogP4.30
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine?
The IUPAC name of 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine (CID 10425027) is 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine.
What is the SMILES notation for 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine?
The canonical SMILES for 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine is CCCN(CCC)C1CCc2cc(F)c3c(ccn3C)c2C1.
What is the InChIKey of 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine?
The InChIKey is VAATVGITWGBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2/c1-4-9-22(10-5-2)15-7-6-14-12-18(20)19-16(17(14)13-15)8-11-21(19)3/h8,11-12,15H,4-7,9-10,13H2,1-3H3.
What are the key properties of 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine?
4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine has a molecular weight of 302.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N,N-dipropyl-6,7,8,9-tetrahydrobenzo[e]indol-8-amine is sourced from PubChem (CID 10425027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).