1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine

C17H25FN2 — CID 58495368

IUPAC1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
SMILESCc1c2c(cc3c1N(CCCF)CCC3)CCNCC2
InChIInChI=1S/C17H25FN2/c1-13-16-6-9-19-8-5-14(16)12-15-4-2-10-20(17(13)15)11-3-7-18/h12,19H,2-11H2,1H3
InChIKeySYFVNXNCRDVYAX-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.80
Rot. Bonds3

About 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine

1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine (PubChem CID 58495368) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
PubChem CID58495368
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
SMILESCc1c2c(cc3c1N(CCCF)CCC3)CCNCC2
InChIInChI=1S/C17H25FN2/c1-13-16-6-9-19-8-5-14(16)12-15-4-2-10-20(17(13)15)11-3-7-18/h12,19H,2-11H2,1H3
InChIKeySYFVNXNCRDVYAX-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine with MolForge

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Related Compounds

1,11-Diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene
CID 22036724
5-Ethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055297
5-Propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055298
5-Methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055306
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline hydrochloride
CID 6602717
N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline
CID 46837258
(5aR)-8-benzyl-9-fluoro-1,2,3,4,5,5a,6,7-octahydro-[1,4]diazepino[1,2-a]quinoline
CID 134155992
2,4,7,8-Tetramethyl-1,2,3,4-tetrahydroquinoline
CID 661124
Asp-2205
CID 53379646
6-(4-(4-Methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline
CID 53327817
6,8-Dimethyl-1,2,3,4-tetrahydroquinoline
CID 12407337
2,2,4,6,7-Pentamethyl-1,2,3,4-tetrahydroquinoline
CID 3142211

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The IUPAC name of 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine (CID 58495368) is 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine.
What is the SMILES notation for 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The canonical SMILES for 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine is Cc1c2c(cc3c1N(CCCF)CCC3)CCNCC2.
What is the InChIKey of 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
The InChIKey is SYFVNXNCRDVYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-13-16-6-9-19-8-5-14(16)12-15-4-2-10-20(17(13)15)11-3-7-18/h12,19H,2-11H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine?
1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine has a molecular weight of 276.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-11-methyl-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine is sourced from PubChem (CID 58495368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).