1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C17H19FN2 — CID 114335994

IUPAC1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESNC1CCCN(Cc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H19FN2/c18-14-6-3-5-13(11-14)12-20-10-4-8-16(19)15-7-1-2-9-17(15)20/h1-3,5-7,9,11,16H,4,8,10,12,19H2
InChIKeyQHQJUDQEXFHEMO-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.63
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114335994) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114335994
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESNC1CCCN(Cc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H19FN2/c18-14-6-3-5-13(11-14)12-20-10-4-8-16(19)15-7-1-2-9-17(15)20/h1-3,5-7,9,11,16H,4,8,10,12,19H2
InChIKeyQHQJUDQEXFHEMO-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335986
1-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558354
2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212678
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336059
2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 117158091
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
1,4-dibenzyl-3,4-dihydro-2H-quinoline
CID 3249530
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114335994) is 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is NC1CCCN(Cc2cccc(F)c2)c2ccccc21.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is QHQJUDQEXFHEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-14-6-3-5-13(11-14)12-20-10-4-8-16(19)15-7-1-2-9-17(15)20/h1-3,5-7,9,11,16H,4,8,10,12,19H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 270.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114335994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).