8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine

C11H14FN — CID 84718205

IUPAC8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCC1CCCNc2cc(F)ccc21
InChIInChI=1S/C11H14FN/c1-8-3-2-6-13-11-7-9(12)4-5-10(8)11/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyHTDUDNAVAKKUAK-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.13
Rot. Bonds

About 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine

8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 84718205) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID84718205
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCC1CCCNc2cc(F)ccc21
InChIInChI=1S/C11H14FN/c1-8-3-2-6-13-11-7-9(12)4-5-10(8)11/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyHTDUDNAVAKKUAK-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
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methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83754277
(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
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7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 105489446
6-fluoro-3-piperidin-4-yl-2,3-dihydro-1H-indole
CID 105475984
6-fluoro-N-methyl-2,3-dihydro-1H-indol-3-amine
CID 84739527
4,6-difluoro-1,2,3,4-tetrahydroquinoline
CID 83853904
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 84718205) is 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is CC1CCCNc2cc(F)ccc21.
What is the InChIKey of 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is HTDUDNAVAKKUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-3-2-6-13-11-7-9(12)4-5-10(8)11/h4-5,7-8,13H,2-3,6H2,1H3.
What are the key properties of 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 179.24 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 84718205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).