7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride

C17H19Cl2FN2 — CID 66707066

IUPAC7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
SMILESCl.Fc1ccccc1CNc1c(Cl)ccc2c1CCNCC2
InChIInChI=1S/C17H18ClFN2.ClH/c18-15-6-5-12-7-9-20-10-8-14(12)17(15)21-11-13-3-1-2-4-16(13)19;/h1-6,20-21H,7-11H2;1H
InChIKeyKCHPDBYIJBTXJN-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.20
Rot. Bonds3

About 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride

7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride (PubChem CID 66707066) has the molecular formula C17H19Cl2FN2 and a molecular weight of 341.26 g/mol. Its IUPAC name is 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
PubChem CID66707066
Molecular FormulaC17H19Cl2FN2
Molecular Weight341.26 g/mol
Exact Mass340.09
IUPAC Name7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
SMILESCl.Fc1ccccc1CNc1c(Cl)ccc2c1CCNCC2
InChIInChI=1S/C17H18ClFN2.ClH/c18-15-6-5-12-7-9-20-10-8-14(12)17(15)21-11-13-3-1-2-4-16(13)19;/h1-6,20-21H,7-11H2;1H
InChIKeyKCHPDBYIJBTXJN-UHFFFAOYSA-N
XLogP4.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride with MolForge

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Related Compounds

7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 70375708
7-chloro-N-[[2-fluoro-4-(4-fluorophenoxy)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 142779805
butanedioic acid;7-chloro-N-[(2-fluoro-4-phenoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 66707109
N-[2-[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]ethyl]-2-fluorobenzamide
CID 66706761
7-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
CID 70375869
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 88616755
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 58495555
7-chloro-N-[[2-(cyclohexylsulfonylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 70968294
7-chloro-N-[[4-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
CID 66706447
butanedioic acid;7-chloro-N-(2,2-difluoro-2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CID 67382258
7-chloro-N-(quinolin-6-ylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;methane
CID 158300393

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The IUPAC name of 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride (CID 66707066) is 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride is Cl.Fc1ccccc1CNc1c(Cl)ccc2c1CCNCC2.
What is the InChIKey of 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The InChIKey is KCHPDBYIJBTXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2.ClH/c18-15-6-5-12-7-9-20-10-8-14(12)17(15)21-11-13-3-1-2-4-16(13)19;/h1-6,20-21H,7-11H2;1H.
What are the key properties of 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride has a molecular weight of 341.26 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride is sourced from PubChem (CID 66707066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).