7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine

C23H20FN3 — CID 123470033

IUPAC7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(c2)C=CC(C)C(N)=N3)ccc1F
InChIInChI=1S/C23H20FN3/c1-14-5-6-17-13-16(8-10-21(17)27-23(14)25)19-4-3-11-26-22(19)18-7-9-20(24)15(2)12-18/h3-14H,1-2H3,(H2,25,27)
InChIKeyUBMWOWKSSIIYBG-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.51
Rot. Bonds2

About 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine

7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine (PubChem CID 123470033) has the molecular formula C23H20FN3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine.

Molecular Properties

Compound Name7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine
PubChem CID123470033
Molecular FormulaC23H20FN3
Molecular Weight357.43 g/mol
Exact Mass357.16
IUPAC Name7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(c2)C=CC(C)C(N)=N3)ccc1F
InChIInChI=1S/C23H20FN3/c1-14-5-6-17-13-16(8-10-21(17)27-23(14)25)19-4-3-11-26-22(19)18-7-9-20(24)15(2)12-18/h3-14H,1-2H3,(H2,25,27)
InChIKeyUBMWOWKSSIIYBG-UHFFFAOYSA-N
XLogP5.51
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine
CID 167216812
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine
CID 118437878
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
CID 90095042
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 90095598
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
CID 90095810
4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide
CID 123139933
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 90095592
1-[[2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]propan-2-ol
CID 139453678
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522
7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine
CID 90094854
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 118448167

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine?
The IUPAC name of 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine (CID 123470033) is 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine.
What is the SMILES notation for 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine?
The canonical SMILES for 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine is Cc1cc(-c2ncccc2-c2ccc3c(c2)C=CC(C)C(N)=N3)ccc1F.
What is the InChIKey of 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine?
The InChIKey is UBMWOWKSSIIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3/c1-14-5-6-17-13-16(8-10-21(17)27-23(14)25)19-4-3-11-26-22(19)18-7-9-20(24)15(2)12-18/h3-14H,1-2H3,(H2,25,27).
What are the key properties of 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine?
7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine has a molecular weight of 357.43 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methyl-3H-1-benzazepin-2-amine is sourced from PubChem (CID 123470033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).