7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine

C11H15ClN2 — CID 82394712

IUPAC7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine
SMILESCN1CCCCc2cc(Cl)cc(N)c21
InChIInChI=1S/C11H15ClN2/c1-14-5-3-2-4-8-6-9(12)7-10(13)11(8)14/h6-7H,2-5,13H2,1H3
InChIKeyXQQXYJBQPLZLFW-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.69
Rot. Bonds

About 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine

7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine (PubChem CID 82394712) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine.

Molecular Properties

Compound Name7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine
PubChem CID82394712
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine
SMILESCN1CCCCc2cc(Cl)cc(N)c21
InChIInChI=1S/C11H15ClN2/c1-14-5-3-2-4-8-6-9(12)7-10(13)11(8)14/h6-7H,2-5,13H2,1H3
InChIKeyXQQXYJBQPLZLFW-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82408940
7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82399199
6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline
CID 58331978
11-chloro-1-methyl-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepine
CID 58494621
7-amino-5-chloro-1-ethyl-3H-indol-2-one
CID 118540260
7-chloro-8-ethenyl-6-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 177159993
3-bromo-5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94068311
6-chloro-7-fluoro-1-methyl-3,4-dihydro-2H-quinoline-8-carboxylic acid;hydrochloride
CID 171787810
5,7-dichloro-2,3-dihydroindol-1-amine
CID 151713616
6-bromo-1-methyl-3,4-dihydro-2H-quinolin-7-amine
CID 82387671
7-bromo-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82387669
(6-chloro-7-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)methanol
CID 177336713

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine?
The IUPAC name of 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine (CID 82394712) is 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine.
What is the SMILES notation for 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine?
The canonical SMILES for 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine is CN1CCCCc2cc(Cl)cc(N)c21.
What is the InChIKey of 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine?
The InChIKey is XQQXYJBQPLZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14-5-3-2-4-8-6-9(12)7-10(13)11(8)14/h6-7H,2-5,13H2,1H3.
What are the key properties of 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine?
7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine has a molecular weight of 210.71 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-9-amine is sourced from PubChem (CID 82394712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).