N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C17H19FN2 — CID 103982414

IUPACN-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCc1cc(F)cc(NC2CCNCc3ccccc32)c1
InChIInChI=1S/C17H19FN2/c1-12-8-14(18)10-15(9-12)20-17-6-7-19-11-13-4-2-3-5-16(13)17/h2-5,8-10,17,19-20H,6-7,11H2,1H3
InChIKeyBFKVMZZGAABKBQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.78
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103982414) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103982414
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC NameN-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCc1cc(F)cc(NC2CCNCc3ccccc32)c1
InChIInChI=1S/C17H19FN2/c1-12-8-14(18)10-15(9-12)20-17-6-7-19-11-13-4-2-3-5-16(13)17/h2-5,8-10,17,19-20H,6-7,11H2,1H3
InChIKeyBFKVMZZGAABKBQ-UHFFFAOYSA-N
XLogP3.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 107588061
N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982407
N-(4-chloro-2-fluorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981250
N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361432
N-(4-bromo-2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980862
N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980336
2,5-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)phenol
CID 106953979
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980315
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103982414) is N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is Cc1cc(F)cc(NC2CCNCc3ccccc32)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is BFKVMZZGAABKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12-8-14(18)10-15(9-12)20-17-6-7-19-11-13-4-2-3-5-16(13)17/h2-5,8-10,17,19-20H,6-7,11H2,1H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 270.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103982414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).