3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine

C11H14FN — CID 84718220

IUPAC3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCc1ccc2c(c1)CCC(F)CN2
InChIInChI=1S/C11H14FN/c1-8-2-5-11-9(6-8)3-4-10(12)7-13-11/h2,5-6,10,13H,3-4,7H2,1H3
InChIKeyCTLBATUIFLUNDB-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.69
Rot. Bonds

About 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine

3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 84718220) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID84718220
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCc1ccc2c(c1)CCC(F)CN2
InChIInChI=1S/C11H14FN/c1-8-2-5-11-9(6-8)3-4-10(12)7-13-11/h2,5-6,10,13H,3-4,7H2,1H3
InChIKeyCTLBATUIFLUNDB-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
6-methyl-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105456821
4-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84717052
(3S)-7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 125424444
ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 99866901
ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 58241445
6-(2-fluoro-5-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 81224871
1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 84717004

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 84718220) is 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is Cc1ccc2c(c1)CCC(F)CN2.
What is the InChIKey of 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is CTLBATUIFLUNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-2-5-11-9(6-8)3-4-10(12)7-13-11/h2,5-6,10,13H,3-4,7H2,1H3.
What are the key properties of 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 179.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 84718220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).