N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C17H19FN2 — CID 103983408

IUPACN-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCN(c1cccc(F)c1)C1CCNCc2ccccc21
InChIInChI=1S/C17H19FN2/c1-20(15-7-4-6-14(18)11-15)17-9-10-19-12-13-5-2-3-8-16(13)17/h2-8,11,17,19H,9-10,12H2,1H3
InChIKeyHASHFUZATLGYDG-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.50
Rot. Bonds2

About N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103983408) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103983408
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC NameN-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCN(c1cccc(F)c1)C1CCNCc2ccccc21
InChIInChI=1S/C17H19FN2/c1-20(15-7-4-6-14(18)11-15)17-9-10-19-12-13-5-2-3-8-16(13)17/h2-8,11,17,19H,9-10,12H2,1H3
InChIKeyHASHFUZATLGYDG-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983396
N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361703
N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361724
N-(3-fluorophenyl)-N,4-dimethylpiperidin-3-amine
CID 66273075
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983485
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
N-(furan-2-ylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983188
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 84942810

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103983408) is N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CN(c1cccc(F)c1)C1CCNCc2ccccc21.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is HASHFUZATLGYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-20(15-7-4-6-14(18)11-15)17-9-10-19-12-13-5-2-3-8-16(13)17/h2-8,11,17,19H,9-10,12H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 270.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103983408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).